Basic information
- Standard SMILES
CCC(=O)C(Br)c1ccncc1- InChIKey
KEULVWAKELXUMI-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO
- Average molar mass
- 228.09 g/mol
Names & identifiers
- Preferred name
- 1-(4-Pyridyl)-1-bromo-2-butanone
- IUPAC
- 1-bromo-1-pyridin-4-ylbutan-2-one
Names & synonyms
SCHEMBL9706221KEULVWAKELXUMI-UHFFFAOYSA-N1-(4-Pyridyl)-1-bromo-2-butanone
Database identifiers
- PubChem CID
- 20199218
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Related reactions
1 records
Compound notes
Loading…