(4-hydroxypyridin-3-yl)boronic acid

• ChemBase ID: 802104
• Molecular Formular: C5H6BNO3
• Molecular Mass: 138.91704
• Monoisotopic Mass: 139.04407346
• SMILES: B(O)(O)c1cnccc1O
• Canonical SMILES: OB(c1cnccc1O)O
• InChI: InChI=1S/C5H6BNO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3,9-10H,(H,7,8)
• InChIKey: BFDQSAOKDNUDIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-hydroxypyridin-3-yl)boronic acid
• IUPAC Traditional name: 4-hydroxypyridin-3-ylboronic acid
• Synonyms: 4-HYDROXYPYRIDINE-3-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.075557
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.041983895
• LogD (pH = 7.4): -0.039306216
• Log P: 0.0435
• Molar Refractivity: 30.4275 cm^3
• Polarizability: 13.283339 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%