Molecular formula
C13H10ClN3O

SMILES
C1=CC=C(C(=C1)C=NNC(=O)C2=CC=NC=C2)Cl

Fragrance
Odorless	39.02%
Roasted	36.12%
Meaty	35.38%
Cooked	33.02%
Savory	31.22%
Burnt	27.72%
Bitter	23.97%
Nutty	23.36%
Popcorn	21.96%
Grape	21.17%

 

Flavor
Bitter	74.38%
Odorless	39.77%
Mild	23.2%
Nitrile	21.84%
Roasted	21.46%
Cooked	21.42%
Bread crust	20.83%
Roasted peanuts	20.41%
Taco	20.39%
Very strong	20.11%

 

Odor impact est.
Odorless

XLogP3-AA
2.4

pKa est.
5.23 (weak acid)

Molecular weight
259.69 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
476°C

Flash point

• 197.78 ˚C est.

• NCIOpen2_002356
• CBDivE_015232
• HMS2823D21

The compound N-[(2-chlorophenyl)methylideneamino]pyridine-4-carboxamide serves primarily as an intermediate and building block in organic synthesis; in pharmaceutical chemistry it may function as a precursor or scaffold for the development of new pyridine-based derivatives; in coordination chemistry and catalysis it can be used as a reagent or ligand for metal-binding studies; and it is commonly evaluated as a precursor for heterocyclic pyridine-based compounds and related materials in research, including exploratory work in agrochemical and materials science.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3.04
methanol	3.72
isopropanol	2.12
water	0.0
ethyl acetate	12.33
n-propanol	3.65
acetone	8.96
n-butanol	2.88
acetonitrile	6.29
DMF	23.4
toluene	16.66
isobutanol	1.94
1,4-dioxane	13.16
methyl acetate	14.91
THF	40.6
2-butanone	25.68
n-pentanol	4.11
sec-butanol	3.83
n-hexane	0.09
ethylene glycol	1.32
NMP	12.99
cyclohexane	0.07
DMSO	25.26
n-butyl acetate	9.93
n-octanol	0.64
chloroform	41.49
n-propyl acetate	11.25
acetic acid	9.0
dichloromethane	57.83
cyclohexanone	20.23
propylene glycol	2.78
isopropyl acetate	7.87
DMAc	76.56
2-ethoxyethanol	18.71
isopentanol	3.06
n-heptane	0.22
ethyl formate	7.76
1,2-dichloroethane	33.06
n-hexanol	3.07
2-methoxyethanol	22.48
isobutyl acetate	5.26
tetrachloromethane	1.11
n-pentyl acetate	4.66
transcutol	116.34
n-heptanol	1.66
ethylbenzene	5.52
MIBK	8.17
2-propoxyethanol	17.45
tert-butanol	2.69
MTBE	3.8
2-butoxyethanol	9.37
propionic acid	6.01
o-xylene	6.42
formic acid	4.37
diethyl ether	3.51
m-xylene	5.88
p-xylene	6.94
chlorobenzene	15.18
dimethyl carbonate	9.41
n-octane	0.08
formamide	11.28
cyclopentanone	25.35
2-pentanone	13.21
anisole	16.99
cyclopentyl methyl ether	7.86
gamma-butyrolactone	27.86
1-methoxy-2-propanol	17.81
pyridine	52.37
3-pentanone	12.63
furfural	46.52
n-dodecane	0.09
diethylene glycol	15.55
diisopropyl ether	1.1
tert-amyl alcohol	4.05
acetylacetone	24.47
n-hexadecane	0.1
acetophenone	21.6
methyl propionate	13.34
isopentyl acetate	9.45
trichloroethylene	106.81
n-nonanol	0.96
cyclohexanol	3.4
benzyl alcohol	15.26
2-ethylhexanol	2.93
isooctanol	1.78
dipropyl ether	4.95
1,2-dichlorobenzene	13.99
ethyl lactate	8.5
propylene carbonate	13.96
n-methylformamide	10.55
2-pentanol	2.41
n-pentane	0.06
1-propoxy-2-propanol	13.25
1-methoxy-2-propyl acetate	20.27
2-(2-methoxypropoxy) propanol	18.81
mesitylene	2.46
ε-caprolactone	19.39
p-cymene	3.28
epichlorohydrin	69.59
1,1,1-trichloroethane	11.32
2-aminoethanol	3.51
morpholine-4-carbaldehyde	30.68
sulfolane	28.75
2,2,4-trimethylpentane	0.16
2-methyltetrahydrofuran	12.03
n-hexyl acetate	3.75
isooctane	0.1
2-(2-butoxyethoxy)ethanol	22.29
sec-butyl acetate	7.65
tert-butyl acetate	8.8
decalin	0.24
glycerin	6.96
diglyme	57.24
acrylic acid	7.15
isopropyl myristate	2.7
n-butyric acid	7.65
acetyl acetate	8.49
di(2-ethylhexyl) phthalate	4.89
ethyl propionate	11.99
nitromethane	29.23
1,2-diethoxyethane	20.84
benzonitrile	17.6
trioctyl phosphate	2.21
1-bromopropane	8.42
gamma-valerolactone	43.72
n-decanol	0.9
triethyl phosphate	7.15
4-methyl-2-pentanol	1.83
propionitrile	8.58
vinylene carbonate	16.42
1,1,2-trichlorotrifluoroethane	39.83
DMS	10.55
cumene	3.0
2-octanol	0.89
2-hexanone	13.8
octyl acetate	2.94
limonene	3.92
1,2-dimethoxyethane	35.34
ethyl orthosilicate	6.05
tributyl phosphate	3.45
diacetone alcohol	13.47
N,N-dimethylaniline	10.89
acrylonitrile	16.48
aniline	15.93
1,3-propanediol	4.97
bromobenzene	16.62
dibromomethane	21.79
1,1,2,2-tetrachloroethane	54.96
2-methyl-cyclohexyl acetate	9.21
tetrabutyl urea	5.95
diisobutyl methanol	2.34
2-phenylethanol	12.28
styrene	8.34
dioctyl adipate	6.92
dimethyl sulfate	18.27
ethyl butyrate	11.47
methyl lactate	11.9
butyl lactate	6.53
diethyl carbonate	8.01
propanediol butyl ether	6.93
triethyl orthoformate	8.62
p-tert-butyltoluene	2.92
methyl 4-tert-butylbenzoate	12.33
morpholine	18.48
tert-butylamine	1.32
n-dodecanol	0.79
dimethoxymethane	22.83
ethylene carbonate	10.25
cyrene	17.04
2-ethoxyethyl acetate	14.74
2-ethylhexyl acetate	7.36
1,2,4-trichlorobenzene	21.2
4-methylpyridine	33.97
dibutyl ether	2.71
2,6-dimethyl-4-heptanol	2.34
DEF	15.82
dimethyl isosorbide	33.99
tetrachloroethylene	25.03
eugenol	15.16
triacetin	11.82
span 80	10.09
1,4-butanediol	2.62
1,1-dichloroethane	14.9
2-methyl-1-pentanol	4.85
methyl formate	9.42
2-methyl-1-butanol	3.36
n-decane	0.11
butyronitrile	6.44
3,7-dimethyl-1-octanol	1.67
1-chlorooctane	0.7
1-chlorotetradecane	0.45
n-nonane	0.09
undecane	0.1
tert-butylcyclohexane	0.25
cyclooctane	0.05
cyclopentanol	3.12
tetrahydropyran	8.91
tert-amyl methyl ether	4.83
2,5,8-trioxanonane	38.81
1-hexene	1.13
2-isopropoxyethanol	11.42
2,2,2-trifluoroethanol	3.87
methyl butyrate	15.17

Scent© AI