(5-fluoro-2-methylpyridin-4-yl)boronic acid

• ChemBase ID: 807245
• Molecular Formular: C6H7BFNO2
• Molecular Mass: 154.9346832
• Monoisotopic Mass: 155.05538709
• SMILES: B(O)(O)c1cc(ncc1F)C
• Canonical SMILES: Cc1ncc(c(c1)B(O)O)F
• InChI: InChI=1S/C6H7BFNO2/c1-4-2-5(7(10)11)6(8)3-9-4/h2-3,10-11H,1H3
• InChIKey: XEKZLTJOECNOMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoro-2-methylpyridin-4-yl)boronic acid
• IUPAC Traditional name: 5-fluoro-2-methylpyridin-4-ylboronic acid
• Synonyms: 5-FLUORO-2-METHYLPYRIDINE-4-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.034342
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6367233
• LogD (pH = 7.4): 0.5477584
• Log P: 0.638
• Molar Refractivity: 33.2545 cm^3
• Polarizability: 14.14514 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%