(6-methylquinolin-3-yl)boronic acid

• ChemBase ID: 310185
• Molecular Formular: C10H10BNO2
• Molecular Mass: 187.0029
• Monoisotopic Mass: 187.08045897
• SMILES: c1(B(O)O)cc2c(nc1)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)cc(cn2)B(O)O
• InChI: InChI=1S/C10H10BNO2/c1-7-2-3-10-8(4-7)5-9(6-12-10)11(13)14/h2-6,13-14H,1H3
• InChIKey: YDBDSKYPNQEAIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1913517
• LogD (pH = 7.4): 2.1610003
• Log P: 2.1964
• Molar Refractivity: 49.566 cm^3
• Polarizability: 21.94515 Å^3
• Polar Surface Area: 53.35 Å^2