Basic information
- Standard SMILES
CC(C)=CC(=O)Nc1cccc(Br)n1- InChIKey
FOBIEIQCPASWIE-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2O
- Average molar mass
- 255.11 g/mol
Names & identifiers
- Preferred name
- N-(6-bromo-2-pyridinyl)-3-methylbut-2-enamide
- IUPAC
- N-(6-bromo-2-pyridinyl)-3-methylbut-2-enamide
Names & synonyms
618446-04-1SCHEMBL4101329FOBIEIQCPASWIE-UHFFFAOYSA-NDA-043663-Methyl-but-2-enoic acid (6-bromo-pyridin-2-yl)-amide
Database identifiers
- PubChem CID
- 43520526
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Related reactions
2 records
Compound notes
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