Basic information
- Standard SMILES
O=C(Cc1cc(Br)ccn1)c1ccc(Cl)cc1- InChIKey
XHPJXWKQKAHNEZ-UHFFFAOYSA-N- Molecular formula
- C13H9BrClNO
- Average molar mass
- 310.57 g/mol
- Monoisotopic mass
- 308.9556
Names & identifiers
- Preferred name
- 2-(4-Bromopyridin-2-yl)-1-(4-chlorophenyl)ethanone
- IUPAC
- 2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethanone
Names & synonyms
1278250-09-12-(4-bromopyridin-2-yl)-1-(4-chlorophenyl)ethanoneSCHEMBL2010817XHPJXWKQKAHNEZ-UHFFFAOYSA-NDA-28308
Database identifiers
- PubChem CID
- 67246641
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Related reactions
5 records
Compound notes
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