chempirical

2,6-Dichloro-4-methyl-3-pyridinecarbonitrile

C7H4Cl2N2CAS 875-35-4187.02 g/mol

Open in Covalent MOL file
ClNClN
Aryl halideNitrile

Properties

Molecular formula
C7H4Cl2N2
Molar mass
187.02 g/mol
Exact mass
185.9752 Da
Melting point
110–110.5 °C
Boiling point
116–118 °C (at 5 Torr)
logP
2.57Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
875-35-4
SMILES
Cc1cc(Cl)nc(Cl)c1C#N
InChIKey
LSPMHHJCDSFAAY-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2N2/c1-4-2-6(8)11-7(9)5(4)3-10/h2H,1H3

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Names and synonyms

7 names
  • 3-Pyridinecarbonitrile, 2,6-dichloro-4-methyl-
  • Nicotinonitrile, 2,6-dichloro-4-methyl-
  • 3-Cyano-2,6-dichloro-4-methylpyridine
  • 2,6-Dichloro-3-cyano-4-methylpyridine
  • 2,6-Dichloro-4-methylnicotinonitrile
  • Dicnil
  • NSC 19881

Work with 2,6-Dichloro-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-methyl-3-pyridinecarbonitrile65169-38-253 % similar 6-Chloro-4-methyl-3-pyridinecarbonitrile66909-35-149 % similar 2,6-Dichloro-4-methyl-3-pyridinecarboxamide38841-54-248 % similar 2-Chloro-6-methylbenzonitrile6575-09-344 % similar 3,6-Dichloro-4-methylpyridazine19064-64-344 % similar 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-044 % similar 2-Mercapto-4,6-dimethylnicotinonitrile54585-47-644 % similar 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-844 % similar

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

Same formula

4-Amino-3,5-dichlorobenzonitrile78473-00-4

Elsewhere

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