6-fluoro-2-(pyridin-2-yl)quinoline-4-carboxylic acid

• ChemBase ID: 124838
• Molecular Formular: C15H9FN2O2
• Molecular Mass: 268.2425632
• Monoisotopic Mass: 268.06480576
• SMILES: c1(c2c(nc(c1)c1ncccc1)ccc(c2)F)C(=O)O
• Canonical SMILES: Fc1ccc2c(c1)c(cc(n2)c1ccccn1)C(=O)O
• InChI: InChI=1S/C15H9FN2O2/c16-9-4-5-12-10(7-9)11(15(19)20)8-14(18-12)13-3-1-2-6-17-13/h1-8H,(H,19,20)
• InChIKey: CCZYDBUGWRSEGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-(pyridin-2-yl)quinoline-4-carboxylic acid
• IUPAC Traditional name: 6-fluoro-2-(pyridin-2-yl)quinoline-4-carboxylic acid
• Synonyms: 6-fluoro-2-(pyridin-2-yl)quinoline-4-carboxylic acid

Database IDs

• PubChem SID: 162219191
• PubChem CID: 3262559

CALCULATED PROPERTIES

• Acid pKa: 3.658908
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1986668
• LogD (pH = 7.4): -0.22369494
• Log P: 2.7581496
• Molar Refractivity: 69.6872 cm^3
• Polarizability: 28.979725 Å^3
• Polar Surface Area: 63.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true