Basic information
- Standard SMILES
Cn1cc(C(=O)O)c(Nc2ccc(Br)cc2F)c(F)c1=O- InChIKey
ZDECDUKQBAGZHQ-UHFFFAOYSA-N- Molecular formula
- C13H9BrF2N2O3
- Average molar mass
- 359.12 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromo-2-fluorophenylamino)-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- IUPAC
- 4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylic acid
Names & synonyms
CHEMBL2034174-(4-bromo-2-fluorophenylamino)-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acidSCHEMBL388569ZDECDUKQBAGZHQ-UHFFFAOYSA-NBDBM50180563
Database identifiers
- PubChem CID
- 11617424
- ChEMBL
CHEMBL203417
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 536
Related reactions
20 records
Compound notes
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