(6-hydroxypyridin-2-yl)boronic acid

• ChemBase ID: 806696
• Molecular Formular: C5H6BNO3
• Molecular Mass: 138.91704
• Monoisotopic Mass: 139.04407346
• SMILES: B(O)(O)c1nc(ccc1)O
• Canonical SMILES: Oc1cccc(n1)B(O)O
• InChI: InChI=1S/C5H6BNO3/c8-5-3-1-2-4(7-5)6(9)10/h1-3,9-10H,(H,7,8)
• InChIKey: BMVULSGPPPTYPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• Acid pKa: 7.939736
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.4391333
• LogD (pH = 7.4): 1.3310578
• Log P: 1.4407
• Molar Refractivity: 31.0545 cm^3
• Polarizability: 13.291483 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%