(8-fluoroquinolin-3-yl)boronic acid

• ChemBase ID: 309233
• Molecular Formular: C9H7BFNO2
• Molecular Mass: 190.9667832
• Monoisotopic Mass: 191.05538709
• SMILES: c1(B(O)O)cc2c(nc1)c(F)ccc2
• Canonical SMILES: OB(c1cnc2c(c1)cccc2F)O
• InChI: InChI=1S/C9H7BFNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5,13-14H
• InChIKey: HWUTVRYZDFZBJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8-fluoroquinolin-3-yl)boronic acid
• IUPAC Traditional name: 8-fluoroquinolin-3-ylboronic acid
• Synonyms: (8-fluoro-3-quinolinyl)boronic acid

Database IDs

• CAS Number: 1207750-07-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.868069
• LogD (pH = 7.4): 1.8218057
• Log P: 1.8687
• Molar Refractivity: 44.7412 cm^3
• Polarizability: 19.806458 Å^3
• Polar Surface Area: 53.35 Å^2