chempirical

2-Chloro-4-methyl-3-pyridinecarbonitrile

C7H5ClN2CAS 65169-38-2152.58 g/mol

Open in Covalent MOL file
NClN
Aryl halideNitrile

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

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 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-453 % similar 3-Amino-2-chloro-4-methylpyridine133627-45-950 % similar 3-Bromo-2-chloro-4-methylpyridine55404-31-450 % similar 2-Chloro-6-methylbenzonitrile6575-09-350 % similar 2-Chloro-3-methylpyridine18368-76-845 % 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 3-Chloroindazole29110-74-5 7-Chloro-1H-pyrrolo[2,3-C]pyridine357263-41-3

Elsewhere

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