(6-methoxypyridin-2-yl)boronic acid

• ChemBase ID: 813257
• Molecular Formular: C6H8BNO3
• Molecular Mass: 152.94362
• Monoisotopic Mass: 153.05972352
• SMILES: B(O)(O)c1nc(ccc1)OC
• Canonical SMILES: COc1cccc(n1)B(O)O
• InChI: InChI=1S/C6H8BNO3/c1-11-6-4-2-3-5(8-6)7(9)10/h2-4,9-10H,1H3
• InChIKey: GQWZKBTZAFEQJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxypyridin-2-yl)boronic acid
• IUPAC Traditional name: 6-methoxypyridin-2-ylboronic acid
• Synonyms: 6-METHOXYPYRIDINE-2-BORONIC ACID

Database IDs

• CAS Number: 372963-51-4

CALCULATED PROPERTIES

• Acid pKa: 7.9365373
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4708205
• LogD (pH = 7.4): 1.3620434
• Log P: 1.4724
• Molar Refractivity: 35.5368 cm^3
• Polarizability: 15.188978 Å^3
• Polar Surface Area: 62.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%