2,5-Pyridinedicarboxylic acid

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  • Identifiers

    CAS number
    100-26-5

    Molecular formula
    C7H5NO4

    SMILES
    C1=CC(=NC=C1C(=O)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 73.78%
    Sour 36.87%
    Burnt 34.27%
    Nutty 31.01%
    Roasted 29.01%
    Phenolic 23.23%
    Cooked 22.43%
    Bitter 21.13%
    Caramellic 19.66%
    Aromatic 19.36%

     

    Flavor
    Odorless 64.7%
    Nutty 49.17%
    Sour 41.33%
    Mild 37.47%
    Very mild 34.03%
    Faint 33.64%
    Phenolic 31.12%
    Musty 25.97%
    Urine 24.14%
    Caramellic 23.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    4.51 (weak acid)

    Molecular weight
    167.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    422°C

    Flash point

    • 233.83 ˚C est.

  • Synonyms

    • 2,5-Pyridinedicarboxylic acid
    • 100-26-5
    • PYRIDINE-2,5-DICARBOXYLIC ACID
    • Isocinchomeronic acid
    • 4K1KGR926X
    • NSC-177
    • DTXSID3059210
    • CHEBI:46865
    • 2,5-PDC
    • RefChem:791696
    • DTXCID9032450
    • 202-834-2
    • MFCD00006297
    • Pyridinedicarboxylic acid-(2,5)
    • CHEMBL88972
    • Nicotinic Acid EP Impurity D
    • Pyridine 2,5-dicarboxylate
    • UNII-4K1KGR926X
    • NSC 177
    • Pyridine-2,5-dicarboxylic Acid; 2,5-Pyridinedicarboxylic acid; 2,5-Dicarboxypyridine; Isocinchomeronic acid; NSC 177; Nicotinic Acid Impurity D
    • EINECS 202-834-2
    • 2,5-Dicarboxy-pyridine
    • AI3-19238
    • 6-carboxy-nicotinic acid
    • pyridine carboxylate, 6b
    • SCHEMBL70231
    • NSC177
    • orb1301832
    • Pyridine 2,5-dicarboxylic acid
    • SCHEMBL14877448
    • SCHEMBL23796958
    • SCHEMBL29363410
    • BDBM26114
    • ISOCINCHOMERONIC ACID [MI]
    • BB_SC-07174
    • BBL011510
    • SBB003886
    • STL146625
    • 2,5-Pyridinedicarboxylic acid, 98%
    • PYRIDINE-2,5-DICARBOXYLICACID
    • AKOS000119637
    • CS-W013239
    • EBC-152070
    • FG-0457
    • FP34330
    • HY-W012523
    • NCGC00336418-01
    • SY007555
    • DB-002412
    • NS00021421
    • P0552
    • ST50307920
    • EN300-19702
    • AB00376873-03
    • F078486
    • Q27120714
    • F0001-0013
    • Z104474820
    • InChI=1/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12
    • R3K
    • 100-26-5

  • Applications

    2,5-Pyridinedicarboxylic acid (CAS 100-26-5) is used as a bidentate di-carboxylate ligand and building block for metal–organic frameworks (MOFs) and coordination polymers, enabling porous materials for gas storage, separation, and catalysis. It also serves as a chelating ligand in metal complexes for catalysis and materials science. In polymer chemistry, it functions as a functional diacid building block to introduce pyridine functionality into polymers such as polyesters and polyamides. In electronics and sensing research, its pyridine nitrogen and carboxylate groups support development of coordination-driven conductive polymers and hybrid materials. Additionally, it is explored as a synthetic intermediate for ligands and coordination compounds in inorganic chemistry and materials research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.39
    methanol 43.41
    isopropanol 7.24
    water 7.91
    ethyl acetate 0.57
    n-propanol 6.31
    acetone 1.61
    n-butanol 3.17
    acetonitrile 0.16
    DMF 22.33
    toluene 0.18
    isobutanol 2.54
    1,4-dioxane 1.12
    methyl acetate 0.74
    THF 1.23
    2-butanone 1.84
    n-pentanol 1.27
    sec-butanol 5.36
    n-hexane 0.11
    ethylene glycol 20.57
    NMP 34.38
    cyclohexane 0.06
    DMSO 108.69
    n-butyl acetate 0.67
    n-octanol 1.02
    chloroform 0.08
    n-propyl acetate 0.15
    acetic acid 2.26
    dichloromethane 0.14
    cyclohexanone 0.45
    propylene glycol 11.04
    isopropyl acetate 0.42
    DMAc 23.5
    2-ethoxyethanol 8.69
    isopentanol 2.42
    n-heptane 0.21
    ethyl formate 0.71
    1,2-dichloroethane 0.23
    n-hexanol 1.96
    2-methoxyethanol 30.63
    isobutyl acetate 0.02
    tetrachloromethane 0.14
    n-pentyl acetate 0.6
    transcutol 16.4
    n-heptanol 1.62
    ethylbenzene 0.14
    MIBK 0.6
    2-propoxyethanol 8.3
    tert-butanol 9.0
    MTBE 1.51
    2-butoxyethanol 5.11
    propionic acid 2.63
    o-xylene 0.46
    formic acid 18.28
    diethyl ether 1.25
    m-xylene 0.25
    p-xylene 0.09
    chlorobenzene 0.04
    dimethyl carbonate 0.98
    n-octane 0.05
    formamide 35.98
    cyclopentanone 0.83
    2-pentanone 1.15
    anisole 0.42
    cyclopentyl methyl ether 0.78
    gamma-butyrolactone 1.29
    1-methoxy-2-propanol 17.12
    pyridine 0.62
    3-pentanone 1.07
    furfural 2.39
    n-dodecane 0.03
    diethylene glycol 16.29
    diisopropyl ether 0.4
    tert-amyl alcohol 8.76
    acetylacetone 0.92
    n-hexadecane 0.03
    acetophenone 0.61
    methyl propionate 1.32
    isopentyl acetate 0.45
    trichloroethylene 0.21
    n-nonanol 0.98
    cyclohexanol 1.0
    benzyl alcohol 0.63
    2-ethylhexanol 0.85
    isooctanol 0.9
    dipropyl ether 0.89
    1,2-dichlorobenzene 0.08
    ethyl lactate 0.99
    propylene carbonate 0.49
    n-methylformamide 13.12
    2-pentanol 2.65
    n-pentane 0.18
    1-propoxy-2-propanol 5.99
    1-methoxy-2-propyl acetate 1.96
    2-(2-methoxypropoxy) propanol 5.97
    mesitylene 0.26
    ε-caprolactone 0.68
    p-cymene 0.39
    epichlorohydrin 0.97
    1,1,1-trichloroethane 0.09
    2-aminoethanol 23.96
    morpholine-4-carbaldehyde 9.01
    sulfolane 11.01
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 1.09
    n-hexyl acetate 0.71
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 7.08
    sec-butyl acetate 0.11
    tert-butyl acetate 0.88
    decalin 0.04
    glycerin 20.39
    diglyme 9.6
    acrylic acid 2.73
    isopropyl myristate 0.3
    n-butyric acid 1.39
    acetyl acetate 0.2
    di(2-ethylhexyl) phthalate 0.58
    ethyl propionate 0.3
    nitromethane 2.55
    1,2-diethoxyethane 1.29
    benzonitrile 0.12
    trioctyl phosphate 0.52
    1-bromopropane 0.19
    gamma-valerolactone 1.94
    n-decanol 0.69
    triethyl phosphate 0.65
    4-methyl-2-pentanol 1.2
    propionitrile 0.25
    vinylene carbonate 0.32
    1,1,2-trichlorotrifluoroethane 4.95
    DMS 0.63
    cumene 0.13
    2-octanol 0.92
    2-hexanone 0.29
    octyl acetate 0.46
    limonene 0.6
    1,2-dimethoxyethane 4.94
    ethyl orthosilicate 0.55
    tributyl phosphate 0.49
    diacetone alcohol 4.77
    N,N-dimethylaniline 0.82
    acrylonitrile 0.38
    aniline 0.61
    1,3-propanediol 14.84
    bromobenzene 0.03
    dibromomethane 0.11
    1,1,2,2-tetrachloroethane 0.35
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 1.3
    diisobutyl methanol 0.75
    2-phenylethanol 1.01
    styrene 0.09
    dioctyl adipate 0.4
    dimethyl sulfate 4.43
    ethyl butyrate 0.51
    methyl lactate 4.61
    butyl lactate 1.9
    diethyl carbonate 0.34
    propanediol butyl ether 5.55
    triethyl orthoformate 0.6
    p-tert-butyltoluene 0.43
    methyl 4-tert-butylbenzoate 2.53
    morpholine 2.78
    tert-butylamine 3.43
    n-dodecanol 0.43
    dimethoxymethane 8.26
    ethylene carbonate 0.19
    cyrene 3.53
    2-ethoxyethyl acetate 1.2
    2-ethylhexyl acetate 0.32
    1,2,4-trichlorobenzene 0.14
    4-methylpyridine 0.48
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.75
    DEF 4.25
    dimethyl isosorbide 5.17
    tetrachloroethylene 0.52
    eugenol 2.53
    triacetin 0.84
    span 80 3.03
    1,4-butanediol 3.95
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 1.13
    methyl formate 3.89
    2-methyl-1-butanol 2.76
    n-decane 0.05
    butyronitrile 0.21
    3,7-dimethyl-1-octanol 0.78
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.04
    cyclooctane 0.05
    cyclopentanol 1.37
    tetrahydropyran 0.39
    tert-amyl methyl ether 2.34
    2,5,8-trioxanonane 7.43
    1-hexene 0.18
    2-isopropoxyethanol 2.57
    2,2,2-trifluoroethanol 2.18
    methyl butyrate 0.36

    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