Basic information
- Standard SMILES
CC(C)n1cc(C(=O)O)cc(-c2ccc(F)cc2)c1=O- InChIKey
RQFRLAGXEUBRIH-UHFFFAOYSA-N- Molecular formula
- C15H14FNO3
- Average molar mass
- 275.27 g/mol
Names & identifiers
- Preferred name
- 5-(4-Fluorophenyl)-1-isopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- IUPAC
- 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid
Names & synonyms
SCHEMBL2262203RQFRLAGXEUBRIH-UHFFFAOYSA-N5-(4-fluorophenyl)-1-isopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
Database identifiers
- PubChem CID
- 67338937
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 474
Related reactions
2 records
Compound notes
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