Basic information
- Standard SMILES
Cc1cc(C(=O)O)ccc1-c1ccc2c(F)c(O)ccc2n1- InChIKey
SJVDCUTYAMEUSA-UHFFFAOYSA-N- Molecular formula
- C17H12FNO3
- Average molar mass
- 297.28 g/mol
- Monoisotopic mass
- 297.08012141
Names & identifiers
- Preferred name
- 4-(5-Fluoro-6-hydroxyquinolin-2-yl)-3-methylbenzoic acid
- IUPAC
- 4-(5-fluoro-6-hydroxyquinolin-2-yl)-3-methylbenzoic acid
Names & synonyms
SCHEMBL9939260SJVDCUTYAMEUSA-UHFFFAOYSA-NDB-4254504-(5-Fluoro-6-hydroxy-2-quinolinyl)-3-methylbenzoic acid4-(5-fluoro-6-hydroxyquinolin-2-yl)-3-methylbenzoic acid1383379-73-4
Database identifiers
- PubChem CID
- 57404879
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
4 records
Compound notes
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