chempirical

2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile

C8H6Cl2N2CAS 91591-63-8201.05 g/mol

Open in Covalent MOL file
NClNCl
Aryl halideNitrile

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

5 names
  • 2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile
  • 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-dimethylpyridine-3-carbonitrile

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-3-cyano-4,6-dimethylpyridine14237-71-944 % similar 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-444 % similar Tetrachloroterephthalonitrile1897-41-240 % similar Tetrachlorophthalonitrile1953-99-739 % similar Pentachlorobenzonitrile20925-85-339 % similar Chlorothalonil1897-45-638 % similar 2-Chloro-4-methyl-3-pyridinecarbonitrile65169-38-238 % similar 4,6-Dichloropyrimidine-5-carbonitrile5305-45-337 % similar

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

Same formula

5,6-Dichloro-2-methylbenzimidazole6478-79-1

Elsewhere

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