(5-fluoro-6-phenoxypyridin-3-yl)boronic acid

• ChemBase ID: 807227
• Molecular Formular: C11H9BFNO3
• Molecular Mass: 233.0034632
• Monoisotopic Mass: 233.06595177
• SMILES: B(O)(O)c1cnc(c(c1)F)Oc1ccccc1
• Canonical SMILES: Fc1cc(cnc1Oc1ccccc1)B(O)O
• InChI: InChI=1S/C11H9BFNO3/c13-10-6-8(12(15)16)7-14-11(10)17-9-4-2-1-3-5-9/h1-7,15-16H
• InChIKey: LQLIDYZLXLXFPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoro-6-phenoxypyridin-3-yl)boronic acid
• IUPAC Traditional name: 5-fluoro-6-phenoxypyridin-3-ylboronic acid
• Synonyms: 6-BENZOXY-5-FLUOROPYRIDINE-3-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.336945
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5943716
• LogD (pH = 7.4): 2.5477219
• Log P: 2.595
• Molar Refractivity: 55.2173 cm^3
• Polarizability: 22.664028 Å^3
• Polar Surface Area: 62.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%