(2-methylquinolin-6-yl)boronic acid

• ChemBase ID: 308435
• Molecular Formular: C10H10BNO2
• Molecular Mass: 187.0029
• Monoisotopic Mass: 187.08045897
• SMILES: n1c2c(cc(B(O)O)cc2)ccc1C
• Canonical SMILES: Cc1ccc2c(n1)ccc(c2)B(O)O
• InChI: InChI=1S/C10H10BNO2/c1-7-2-3-8-6-9(11(13)14)4-5-10(8)12-7/h2-6,13-14H,1H3
• InChIKey: MVMHGLOKEZYGNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylquinolin-6-yl)boronic acid
• IUPAC Traditional name: 2-methylquinolin-6-ylboronic acid
• Synonyms: 2-METHYLQUINOLINE-6-BORONIC ACID; (2-methyl-6-quinolinyl)boronic acid

CALCULATED PROPERTIES

• Polarizability: 21.942036 Å^3
• Polar Surface Area: 53.35 Å^2
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8407453
• LogD (pH = 7.4): 1.881493
• Log P: 1.8998
• Molar Refractivity: 49.1163 cm^3
• Acid pKa: 8.785035
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%