(4-methoxypyridin-2-yl)boronic acid

• ChemBase ID: 815647
• Molecular Formular: C6H8BNO3
• Molecular Mass: 152.94362
• Monoisotopic Mass: 153.05972352
• SMILES: B(O)(O)c1nccc(c1)OC
• Canonical SMILES: COc1ccnc(c1)B(O)O
• InChI: InChI=1S/C6H8BNO3/c1-11-5-2-3-8-6(4-5)7(9)10/h2-4,9-10H,1H3
• InChIKey: JFRFELMBEBUVKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxypyridin-2-yl)boronic acid
• IUPAC Traditional name: 4-methoxypyridin-2-ylboronic acid
• Synonyms: 4-methoxypyridin-2-ylboronic acid

Database IDs

• CAS Number: NONE

CALCULATED PROPERTIES

• Acid pKa: 7.9158134
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.76790065
• LogD (pH = 7.4): 0.65830666
• Log P: 0.7738
• Molar Refractivity: 35.2233 cm^3
• Polarizability: 15.183166 Å^3
• Polar Surface Area: 62.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%