Basic information
- Standard SMILES
CC(=O)Cc1ccnc(Br)c1- InChIKey
PSCQOZKOSQQMCE-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO
- Average molar mass
- 214.06 g/mol
Names & identifiers
- Preferred name
- 1-(2-Bromopyridin-4-yl)propan-2-one
- IUPAC
- 1-(2-bromo-4-pyridinyl)propan-2-one
Names & synonyms
SCHEMBL1874529PSCQOZKOSQQMCE-UHFFFAOYSA-N1-(2-bromopyridin-4-yl)propan-2-one1-(2-Bromo-pyridin-4-yl)-propan-2-one
Database identifiers
- PubChem CID
- 23435643
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Related reactions
5 records
Compound notes
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