2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile

C₈H₆Cl₂N₂CAS 91591-63-8201.05 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₆Cl₂N₂
Molar mass: 201.05 g/mol
Exact mass: 199.9908 Da
Melting point: 67–68 °C
logP: 2.88Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

91591-63-8

SMILES

Cc1nc(Cl)c(C#N)c(C)c1Cl

InChIKey

UCGWYTUBYASPFG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3

Weigh it out

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Names and synonyms

4 names

3-Pyridinecarbonitrile, 2,5-dichloro-4,6-dimethyl-
NSC 341973
2,5-Dichloro-4,6-dimethylnicotinonitrile
2,5-Dichloro-3-cyano-4,6-dimethylpyridine

Work with 2,5-Dichloro-4,6-dimethyl-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-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-444 % similar Tetrachloroterephthalonitrile1897-41-240 % similar Tetrachlorophthalonitrile1953-99-739 % similar Chlorothalonil1897-45-638 % similar 2-Chloro-4-methyl-3-pyridinecarbonitrile65169-38-238 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-333 % similar 5-Amino-3-methyl-4-isothiazolecarbonitrile41808-35-933 % similar 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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