Basic information
- Standard SMILES
NCc1cc(Br)ccc1NC(=O)c1ccccn1- InChIKey
IFPGCDFXHMLBCT-UHFFFAOYSA-N- Molecular formula
- C13H12BrN3O
- Average molar mass
- 306.16 g/mol
- Monoisotopic mass
- 305.01637
Names & identifiers
- Preferred name
- N-[2-(aminomethyl)-4-bromophenyl]pyridine-2-carboxamide
- IUPAC
- N-[2-(aminomethyl)-4-bromophenyl]pyridine-2-carboxamide
Names & synonyms
SCHEMBL4075480IFPGCDFXHMLBCT-UHFFFAOYSA-NN-[2-(aminomethyl)-4-bromophenyl]pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 57598296
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
4 records
Compound notes
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