Basic information
- Standard SMILES
N#CC(CCCl)(c1ccccc1)c1cccnc1- InChIKey
KLPUNLUYBJLRPU-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2
- Average molar mass
- 256.73 g/mol
Names & identifiers
- Preferred name
- 2-Phenyl-2-(3-pyridyl)-4-chlorobutyronitrile
- IUPAC
- 4-chloro-2-phenyl-2-pyridin-3-ylbutanenitrile
Names & synonyms
SCHEMBL11728735KLPUNLUYBJLRPU-UHFFFAOYSA-N2-phenyl-2-(3-pyridyl)-4-chlorobutyronitrile
Database identifiers
- PubChem CID
- 21483672
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
2 records
Compound notes
Loading…