2-Pyridinecarboxamide

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  • Identifiers

    CAS number
    1452-77-3

    Molecular formula
    C6H6N2O

    SMILES
    C1=CC=NC(=C1)C(=O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 55.84%
    Roasted 40.3%
    Nutty 39.58%
    Popcorn 37.55%
    Burnt 29.58%
    Meaty 25.32%
    Cooked 25.16%
    Savory 23.87%
    Musty 21.46%
    Caramellic 21.23%

     

    Flavor
    Nutty 53.55%
    Popcorn 43.45%
    Roast 38.32%
    Bitter 37.97%
    Roasted 36.81%
    Odorless 36.49%
    Chip 33.28%
    Corn 32.41%
    Cooked 30.87%
    Chocolate 29.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    5.68 (weak acid)

    Molecular weight
    122.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 129.26 ˚C est.

  • Synonyms

    • Picolinamide
    • 1452-77-3
    • 2-Pyridinecarboxamide
    • DTXSID4061703
    • I3550CCL59
    • NSC-524473
    • CHEBI:8200
    • RefChem:174161
    • DTXCID5034725
    • 215-921-5
    • PYRIDINE-2-CARBOXAMIDE
    • 2-Picolinamide
    • Picolinoylamide
    • 2-Carbamoylpyridine
    • Picolinic acid amide
    • 2-aminocarbonyl-pyridine
    • alpha-Picolinamide
    • MFCD00023483
    • .alpha.-Picolinic acid amide
    • alpha - picolinamide
    • Pyridine-2-carboxamide (Picolinamide)
    • Pyridinecarboxamide
    • picolamide
    • pyridine amide
    • UNII-I3550CCL59
    • 2-picoloylamine
    • pyridyl carboxamide
    • EINECS 215-921-5
    • .alpha.-Picolinamide
    • Picolinamide, 98%
    • NSC 524473
    • 2-pyridine-carboxamide
    • pyridine 2-carboxamide
    • 2-picolinic acid amide
    • Picolinamide (Standard)
    • pyridine, 2-carbamoyl-
    • 2-pyridinecarboximidic acid
    • .alpha.-Pyridinecarboxamide
    • SCHEMBL61183
    • SCHEMBL94848
    • SCHEMBL126805
    • SCHEMBL183307
    • SCHEMBL894826
    • orb1300326
    • SCHEMBL1031112
    • SCHEMBL1505348
    • SCHEMBL1904555
    • SCHEMBL11612388
    • IBBMAWULFFBRKK-UHFFFAOYSA-
    • pyridine-2-carboxylic acid amide
    • HMS1784A15
    • Picolinamide; 2-Pyridinecarboxamide
    • NSC524473
    • s4710
    • SBB008128
    • AKOS001144712
    • CCG-266081
    • EBC-155023
    • FA35338
    • GS-6464
    • HY-101020R
    • SY048638
    • DB-042775
    • DB-330527
    • HY-101020
    • CS-0020700
    • NS00024723
    • P0414
    • ST45025456
    • 2-Picolinamide(Discontinued,See C4X-18614)
    • C01950
    • F235663
    • Isoniazid Impurity I; Nicotinamide EP Impurity C
    • Q27107933
    • Z33546380
    • 2-Pyridinecarboxamide; Picolinoylamide; 2-Carbamoylpyridine
    • InChI=1/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
    • WM1
    • 1452-77-3

  • Applications

    2-Pyridinecarboxamide (CAS 1452-77-3), also known as picolinamide, is widely used as a bidentate ligand in metal complexes for catalysis and materials chemistry; it serves as a directing group for C-H activation in organic synthesis to guide functionalization on pyridine rings and related systems; it acts as a versatile building block and intermediate in pharmaceutical and heterocyclic synthesis; its picolinamide motif is used to install coordinating groups in ligands and polymeric or molecular materials; and it may appear as an intermediate in compound libraries and coordination chemistry studies, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.88
    methanol 115.46
    isopropanol 29.59
    water 47.02
    ethyl acetate 19.23
    n-propanol 32.61
    acetone 49.06
    n-butanol 23.13
    acetonitrile 22.67
    DMF 309.61
    toluene 11.62
    isobutanol 20.86
    1,4-dioxane 189.69
    methyl acetate 23.98
    THF 96.56
    2-butanone 34.32
    n-pentanol 21.02
    sec-butanol 19.34
    n-hexane 0.77
    ethylene glycol 59.87
    NMP 262.61
    cyclohexane 0.36
    DMSO 370.68
    n-butyl acetate 15.17
    n-octanol 10.86
    chloroform 18.04
    n-propyl acetate 14.11
    acetic acid 58.32
    dichloromethane 21.97
    cyclohexanone 61.01
    propylene glycol 29.98
    isopropyl acetate 11.8
    DMAc 245.96
    2-ethoxyethanol 63.37
    isopentanol 18.31
    n-heptane 1.14
    ethyl formate 27.89
    1,2-dichloroethane 19.01
    n-hexanol 19.64
    2-methoxyethanol 110.04
    isobutyl acetate 8.85
    tetrachloromethane 4.12
    n-pentyl acetate 13.48
    transcutol 82.9
    n-heptanol 13.91
    ethylbenzene 4.94
    MIBK 17.7
    2-propoxyethanol 54.92
    tert-butanol 27.48
    MTBE 15.36
    2-butoxyethanol 34.05
    propionic acid 36.91
    o-xylene 9.81
    formic acid 109.54
    diethyl ether 12.84
    m-xylene 10.08
    p-xylene 7.42
    chlorobenzene 15.24
    dimethyl carbonate 19.52
    n-octane 0.69
    formamide 109.33
    cyclopentanone 95.25
    2-pentanone 25.56
    anisole 17.34
    cyclopentyl methyl ether 30.65
    gamma-butyrolactone 124.1
    1-methoxy-2-propanol 60.49
    pyridine 59.0
    3-pentanone 19.9
    furfural 119.83
    n-dodecane 0.67
    diethylene glycol 77.7
    diisopropyl ether 4.08
    tert-amyl alcohol 22.14
    acetylacetone 30.53
    n-hexadecane 0.76
    acetophenone 23.31
    methyl propionate 27.71
    isopentyl acetate 14.5
    trichloroethylene 35.07
    n-nonanol 10.0
    cyclohexanol 18.07
    benzyl alcohol 23.6
    2-ethylhexanol 11.65
    isooctanol 10.99
    dipropyl ether 9.68
    1,2-dichlorobenzene 13.67
    ethyl lactate 19.52
    propylene carbonate 45.62
    n-methylformamide 125.22
    2-pentanol 13.1
    n-pentane 0.66
    1-propoxy-2-propanol 32.53
    1-methoxy-2-propyl acetate 25.21
    2-(2-methoxypropoxy) propanol 29.22
    mesitylene 5.77
    ε-caprolactone 48.15
    p-cymene 5.61
    epichlorohydrin 90.55
    1,1,1-trichloroethane 9.8
    2-aminoethanol 60.97
    morpholine-4-carbaldehyde 201.28
    sulfolane 189.35
    2,2,4-trimethylpentane 0.88
    2-methyltetrahydrofuran 47.36
    n-hexyl acetate 15.53
    isooctane 0.78
    2-(2-butoxyethoxy)ethanol 38.17
    sec-butyl acetate 8.83
    tert-butyl acetate 13.28
    decalin 0.86
    glycerin 71.67
    diglyme 69.19
    acrylic acid 45.76
    isopropyl myristate 7.01
    n-butyric acid 33.41
    acetyl acetate 11.61
    di(2-ethylhexyl) phthalate 11.9
    ethyl propionate 13.14
    nitromethane 108.45
    1,2-diethoxyethane 18.98
    benzonitrile 26.5
    trioctyl phosphate 9.52
    1-bromopropane 8.33
    gamma-valerolactone 150.76
    n-decanol 8.14
    triethyl phosphate 11.37
    4-methyl-2-pentanol 9.66
    propionitrile 21.63
    vinylene carbonate 42.5
    1,1,2-trichlorotrifluoroethane 69.55
    DMS 17.85
    cumene 4.59
    2-octanol 8.94
    2-hexanone 17.67
    octyl acetate 10.32
    limonene 6.88
    1,2-dimethoxyethane 80.52
    ethyl orthosilicate 10.15
    tributyl phosphate 10.03
    diacetone alcohol 29.18
    N,N-dimethylaniline 17.07
    acrylonitrile 37.15
    aniline 26.03
    1,3-propanediol 55.89
    bromobenzene 10.92
    dibromomethane 11.91
    1,1,2,2-tetrachloroethane 30.19
    2-methyl-cyclohexyl acetate 12.58
    tetrabutyl urea 16.05
    diisobutyl methanol 7.67
    2-phenylethanol 21.65
    styrene 5.64
    dioctyl adipate 11.25
    dimethyl sulfate 60.15
    ethyl butyrate 13.03
    methyl lactate 36.25
    butyl lactate 17.77
    diethyl carbonate 10.51
    propanediol butyl ether 30.59
    triethyl orthoformate 12.08
    p-tert-butyltoluene 5.47
    methyl 4-tert-butylbenzoate 24.73
    morpholine 144.02
    tert-butylamine 12.25
    n-dodecanol 6.42
    dimethoxymethane 77.93
    ethylene carbonate 32.82
    cyrene 39.79
    2-ethoxyethyl acetate 20.15
    2-ethylhexyl acetate 11.17
    1,2,4-trichlorobenzene 17.44
    4-methylpyridine 61.94
    dibutyl ether 7.24
    2,6-dimethyl-4-heptanol 7.67
    DEF 57.21
    dimethyl isosorbide 44.9
    tetrachloroethylene 20.29
    eugenol 28.9
    triacetin 19.6
    span 80 21.97
    1,4-butanediol 32.81
    1,1-dichloroethane 13.68
    2-methyl-1-pentanol 16.87
    methyl formate 81.67
    2-methyl-1-butanol 18.35
    n-decane 0.98
    butyronitrile 20.43
    3,7-dimethyl-1-octanol 9.97
    1-chlorooctane 4.44
    1-chlorotetradecane 2.08
    n-nonane 0.87
    undecane 0.8
    tert-butylcyclohexane 1.09
    cyclooctane 0.3
    cyclopentanol 29.21
    tetrahydropyran 38.18
    tert-amyl methyl ether 13.67
    2,5,8-trioxanonane 50.26
    1-hexene 3.62
    2-isopropoxyethanol 35.3
    2,2,2-trifluoroethanol 38.31
    methyl butyrate 20.09

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction