2-Chloro-4-methyl-3-pyridinecarbonitrile

C₇H₅ClN₂CAS 65169-38-2152.58 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₅ClN₂
Molar mass: 152.58 g/mol
Exact mass: 152.0141 Da
Melting point: 105–108 °C
logP: 1.92Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

65169-38-2

SMILES

Cc1ccnc(Cl)c1C#N

InChIKey

BXUFVXSRHLSIMN-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2/c1-5-2-3-10-7(8)6(5)4-9/h2-3H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

3-Pyridinecarbonitrile, 2-chloro-4-methyl-
2-Chloro-4-methylnicotinotrile
4-Methyl-2-chloronicotinonitrile
2-Chloro-3-cyano-4-methylpyridine
2-Chloro-4-methyl-nicotinonitrile

Work with 2-Chloro-4-methyl-3-pyridinecarbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-4-iodonicotinonitrile1171919-75-764 % similar 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-358 % similar 2,6-Dimethylbenzonitrile6575-13-953 % similar 2-Chloro-3-cyano-4,6-dimethylpyridine14237-71-953 % similar 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-453 % similar 4,6-Dichloropyrimidine-5-carbonitrile5305-45-352 % similar 3-Amino-2-chloro-4-methylpyridine133627-45-950 % similar 3-Bromo-2-chloro-4-methylpyridine55404-31-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-4 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 4-Amino-3-chlorobenzonitrile21803-75-8 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-9

Elsewhere

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