2-Chloro-6-methyl-3-pyridinecarbonitrile

C₇H₅ClN₂CAS 28900-10-9152.58 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
logP: 1.92Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin91.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage10.9% of notifiers
H319 Causes serious eye irritation89.1% of notifiers
H332 Harmful if inhaled89.1% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 46 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

28900-10-9

SMILES

CC1=NC(=C(C=C1)C#N)Cl

InChIKey

YSBNBAYNISAUIT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Chloro-6-methylpyridine-3-carbonitrile

Work with 2-Chloro-6-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

2,6-Dichloropyridine-3-carbonitrile40381-90-661 % similar 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-458 % similar 3-Cyano-2-fluoro-6-picoline54957-80-158 % similar 2-Chloro-6-phenyl-3-pyridinecarbonitrile43083-14-354 % similar 6-Methylpyridine-2-carbonitrile1620-75-353 % similar 2-Chloro-3-cyano-4,6-dimethylpyridine14237-71-950 % similar 2-Chloro-6-(4-fluorophenyl)nicotinonitrile31776-83-749 % similar 3-Bromo-2-chloro-6-picoline185017-72-548 % 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 3-Chloroindazole29110-74-5

Elsewhere

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