chempirical

3-Chloropyridine-2-carbonitrile

C6H3ClN2CAS 38180-46-0138.55 g/mol

Open in Covalent MOL file
NNCl
Aryl halideNitrile

Properties

Molecular formula
C6H3ClN2
Molar mass
138.55 g/mol
Exact mass
137.9985 Da
logP
1.61Crippen 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
38180-46-0
SMILES
C1=CC(=C(N=C1)C#N)Cl
InChIKey
YDPLFBIGFQFIDB-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2/c7-5-2-1-3-9-6(5)4-8/h1-3H

Weigh it out

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Names and synonyms

1 names
  • 2-Cyano-3-chloropyridine

Work with 3-Chloropyridine-2-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

Pyridine-2,3-dicarbonitrile17132-78-459 % similar 3-Bromopyridine-2-carbonitrile55758-02-657 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-655 % similar 3-Amino-2-pyridinecarbonitrile42242-11-555 % similar 3-Iodopyridine-2-carbonitrile827616-52-455 % similar 3-Hydroxy-2-pyridinecarbonitrile932-35-455 % similar 3,5-Dichloro-2-cyanopyridine85331-33-553 % similar 3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile31255-57-951 % similar

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

Same formula

4-Chloro-2-cyanopyridine19235-89-3 6-Chloronicotinonitrile33252-28-7 6-Chloro-2-pyridinecarbonitrile33252-29-8 2-Chloro-4-cyanopyridine33252-30-1 2-Chloro-3-cyanopyridine6602-54-6 3-Chloro-4-cyanopyridine68325-15-5 4-Chloro-nicotinonitrile89284-61-7 5-Chloro-2-pyridinecarbonitrile89809-64-3

Elsewhere

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