(2-chloro-5-hydroxypyridin-4-yl)boronic acid

• ChemBase ID: 801211
• Molecular Formular: C5H5BClNO3
• Molecular Mass: 173.3621
• Monoisotopic Mass: 173.00510111
• SMILES: B(O)(O)c1cc(ncc1O)Cl
• Canonical SMILES: Clc1ncc(c(c1)B(O)O)O
• InChI: InChI=1S/C5H5BClNO3/c7-5-1-3(6(10)11)4(9)2-8-5/h1-2,9-11H
• InChIKey: IMDQYJIXTVOVAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-5-hydroxypyridin-4-yl)boronic acid
• IUPAC Traditional name: 2-chloro-5-hydroxypyridin-4-ylboronic acid
• Synonyms: 2-CHLORO-5-HYDROXYPYRIDINE-4-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.073287
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.931055
• LogD (pH = 7.4): 0.849004
• Log P: 0.9322
• Molar Refractivity: 36.2936 cm^3
• Polarizability: 15.290531 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%