8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

• ChemBase ID: 308836
• Molecular Formular: C10H6FNO3
• Molecular Mass: 207.1579432
• Monoisotopic Mass: 207.03317128
• SMILES: c1(c(=O)c2c([nH]c1)c(F)ccc2)C(=O)O
• Canonical SMILES: OC(=O)c1c[nH]c2c(c1=O)cccc2F
• InChI: InChI=1S/C10H6FNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
• InChIKey: IZUDOGPKKWBGKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• IUPAC Traditional name: 8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
• Synonyms: 8-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

Database IDs

• CAS Number: 63010-70-8
• MDL Number: MFCD00218201

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2858675
• LogD (pH = 7.4): 0.23443711
• Log P: 1.679875
• Molar Refractivity: 51.3094 cm^3
• Polarizability: 18.237154 Å^3
• Polar Surface Area: 66.4 Å^2