Basic information
- CAS
605681-06-9- Standard SMILES
CC(=O)Cc1cncc(Br)c1- InChIKey
YLNLWCJYVBTPBF-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO
- Average molar mass
- 214.06 g/mol
- Monoisotopic mass
- 212.97892598
Names & identifiers
- Preferred name
- 1-(5-Bromopyridin-3-yl)propan-2-one
- IUPAC
- 1-(5-bromo-3-pyridinyl)propan-2-one
- English name
- 1-(5-Bromo-pyridin-3-yl)-propan-2-one
- Molecular formula
- C8H8BrNO
- Molecular weight
- 214.06
Names & synonyms
1-(5-bromopyridin-3-yl)propan-2-one605681-06-9DTXSID20590296RefChem:225697DTXCID605410601-(5-Bromo-pyridin-3-yl)-propan-2-one5-Bromo-3-pyridylacetoneSCHEMBL33721791-(5-bromo-3-pyridyl)propanoneYLNLWCJYVBTPBF-UHFFFAOYSA-NEN300-18978821-(5-bromo-3-pyridinyl)-2-propanone
Show more names
2-Propanone, 1-(5-bromo-3-pyridinyl)-
Database identifiers
- CAS
605681-06-9- PubChem CID
- 17750147
- DTXSID
DTXSID20590296- Nikkaji
- J1.967.763J
Properties
Computed structural properties
- XLogP
- 1.2
- 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
Chemistry & industry
Suppliers2 total
西安峥豪生物科技有限责任公司19829389091 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
7 records
Compound notes
Loading…