Basic information
- Standard SMILES
Cn1cc(C(=O)O)c(Nc2ccc(Br)cc2F)cc1=O- InChIKey
CKPLIOQXBXJAKJ-UHFFFAOYSA-N- Molecular formula
- C13H10BrFN2O3
- Average molar mass
- 341.13 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromo-2-fluorophenylamino)-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- IUPAC
- 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
Names & synonyms
SCHEMBL388542SCHEMBL29413525CKPLIOQXBXJAKJ-UHFFFAOYSA-NDB-1287164-(4-bromo-2-fluoroanilino)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid4-(4-bromo-2-fluorophenylamino)-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid4-[(4-bromo-2-fluorophenyl)amino]-1,6-dihydro-1-methyl-6-oxo-3-pyridinecarboxylic acid
Database identifiers
- PubChem CID
- 11580925
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 492
Related reactions
51 records
Compound notes
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