(8-methylquinolin-3-yl)boronic acid

• ChemBase ID: 310195
• Molecular Formular: C10H10BNO2
• Molecular Mass: 187.0029
• Monoisotopic Mass: 187.08045897
• SMILES: c1(B(O)O)cc2c(nc1)c(ccc2)C
• Canonical SMILES: OB(c1cnc2c(c1)cccc2C)O
• InChI: InChI=1S/C10H10BNO2/c1-7-3-2-4-8-5-9(11(13)14)6-12-10(7)8/h2-6,13-14H,1H3
• InChIKey: QNMGKSYRNLBGNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.192383
• LogD (pH = 7.4): 2.160853
• Log P: 2.1964
• Molar Refractivity: 49.566 cm^3
• Polarizability: 21.946726 Å^3
• Polar Surface Area: 53.35 Å^2