Basic information
- Standard SMILES
O=C(CCCl)c1ccc(Cc2cccnc2)cc1- InChIKey
JLXKIEGYJFQEDY-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO
- Average molar mass
- 259.73 g/mol
Names & identifiers
- Preferred name
- 3-[p-(3-Chloropropionyl)benzyl]pyridine
- IUPAC
- 3-chloro-1-[4-(pyridin-3-ylmethyl)phenyl]propan-1-one
Names & synonyms
SCHEMBL10656900JLXKIEGYJFQEDY-UHFFFAOYSA-N3-[p-(3-chloropropionyl)benzyl]pyridine
Database identifiers
- PubChem CID
- 20148637
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
3 records
Compound notes
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