2-Chlorophenyl-(2-pyrimidinyl)acetonitrile
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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 propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
3 records
Compound notes
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