(6-phenoxypyridin-3-yl)boronic acid

• ChemBase ID: 292107
• Molecular Formular: C11H10BNO3
• Molecular Mass: 215.013
• Monoisotopic Mass: 215.07537359
• SMILES: OB(c1ccc(Oc2ccccc2)nc1)O
• Canonical SMILES: OB(c1ccc(nc1)Oc1ccccc1)O
• InChI: InChI=1S/C11H10BNO3/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h1-8,14-15H
• InChIKey: BVSDPMDHUFPPMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-phenoxypyridin-3-yl)boronic acid
• IUPAC Traditional name: 6-phenoxypyridin-3-ylboronic acid
• Synonyms: (6-Phenoxypyridin-3-yl)boronic acid

Database IDs

• CAS Number: 1270921-80-6
• MDL Number: MFCD12403506
• PubChem SID: 180677638
• PubChem CID: 57808470

CALCULATED PROPERTIES

• Acid pKa: 8.481838
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4550426
• LogD (pH = 7.4): 2.4211211
• Log P: 2.4555
• Molar Refractivity: 55.0009 cm^3
• Polarizability: 22.96578 Å^3
• Polar Surface Area: 62.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%