chempirical

3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile

C14H11ClN2CAS 31255-57-9242.71 g/mol

Open in Covalent MOL file
NNCl
Aryl halideNitrile

Properties

Molecular formula
C14H11ClN2
Molar mass
242.71 g/mol
Exact mass
242.0611 Da
Melting point
72.8 °C
logP
3.39Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
31255-57-9
SMILES
N#Cc1ncccc1CCc1cccc(Cl)c1
InChIKey
JPCGKKFEDUHGDF-UHFFFAOYSA-N
InChI
InChI=1S/C14H11ClN2/c15-13-5-1-3-11(9-13)6-7-12-4-2-8-17-14(12)10-16/h1-5,8-9H,6-7H2

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Names and synonyms

3 names
  • 2-Pyridinecarbonitrile, 3-[2-(3-chlorophenyl)ethyl]-
  • Picolinonitrile, 3-(m-chlorophenethyl)-
  • 3-[2-(3-Chlorophenyl)ethyl]-2-cyanopyridine

Work with 3-[2-(3-Chlorophenyl)ethyl]-2-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

Loratadine ketone130642-50-146 % similar 3-Chlorobenzeneacetonitrile1529-41-544 % similar 3-Hydroxy-2-pyridinecarbonitrile932-35-444 % similar 2-(3-Chlorophenyl)ethylamine13078-79-041 % similar 2-(3-Chlorophenyl)ethanol5182-44-541 % similar 4-Chloro-2-cyanopyridine19235-89-340 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-640 % similar 3-Chlorobenzonitrile766-84-740 % similar

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

Elsewhere

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