(6-fluoroquinolin-3-yl)boronic acid

• ChemBase ID: 309229
• Molecular Formular: C9H7BFNO2
• Molecular Mass: 190.9667832
• Monoisotopic Mass: 191.05538709
• SMILES: c1(B(O)O)cc2c(nc1)ccc(c2)F
• Canonical SMILES: Fc1ccc2c(c1)cc(cn2)B(O)O
• InChI: InChI=1S/C9H7BFNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5,13-14H
• InChIKey: CIBAALVGNOQWCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-fluoroquinolin-3-yl)boronic acid
• IUPAC Traditional name: 6-fluoroquinolin-3-ylboronic acid
• Synonyms: (6-fluoro-3-quinolinyl)boronic acid

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8677938
• LogD (pH = 7.4): 1.8318036
• Log P: 1.8687
• Molar Refractivity: 44.7412 cm^3
• Polarizability: 19.800264 Å^3
• Polar Surface Area: 53.35 Å^2