2-Chlorophenyl-(2-pyrimidinyl)acetonitrile

HCID 12372968
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Basic information

Standard SMILES
N#CC(c1ncccn1)c1ccccc1Cl
InChIKey
ZAICQJHRVHLVEY-UHFFFAOYSA-N
Molecular formula
C12H8ClN3
Average molar mass
229.66 g/mol

Names & identifiers

Preferred name
2-Chlorophenyl-(2-pyrimidinyl)acetonitrile
IUPAC
2-(2-chlorophenyl)-2-pyrimidin-2-ylacetonitrile

Names & synonyms

SCHEMBL6767570ZAICQJHRVHLVEY-UHFFFAOYSA-N2-chlorophenyl(2-pyrimidinyl)acetonitile2-Chlorophenyl-(2-pyrimidinyl)acetonitrile

Database identifiers

PubChem CID
12372968

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
49.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Related reactions

3 records
New reaction record

Linked notes

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