6-Acetyl-4-bromopicolinonitrile
Basic information
- CAS
1393573-66-4- Standard SMILES
CC(=O)c1cc(Br)cc(C#N)n1- InChIKey
JFEFLEHOSCFEFK-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O
- Average molar mass
- 225.04 g/mol
- Monoisotopic mass
- 223.95853
Names & identifiers
- Preferred name
- 6-Acetyl-4-bromopicolinonitrile
- IUPAC
- 6-acetyl-4-bromopyridine-2-carbonitrile
Names & synonyms
6-Acetyl-4-bromopicolinonitrile1393573-66-46-ACETYL-4-BROMOPYRIDINE-2-CARBONITRILEDTXSID901270211AB79813CS-452952-Pyridinecarbonitrile, 6-acetyl-4-bromo-
Database identifiers
- CAS
1393573-66-4- PubChem CID
- 72215831
- DTXSID
DTXSID901270211
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
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Compound notes
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