(3-methoxy-5-methylpyridin-4-yl)boronic acid

• ChemBase ID: 807256
• Molecular Formular: C7H10BNO3
• Molecular Mass: 166.9702
• Monoisotopic Mass: 167.07537359
• SMILES: B(O)(O)c1c(cncc1C)OC
• Canonical SMILES: COc1cncc(c1B(O)O)C
• InChI: InChI=1S/C7H10BNO3/c1-5-3-9-4-6(12-2)7(5)8(10)11/h3-4,10-11H,1-2H3
• InChIKey: VDXABCHRXJADOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxy-5-methylpyridin-4-yl)boronic acid
• IUPAC Traditional name: 3-methoxy-5-methylpyridin-4-ylboronic acid
• Synonyms: 3-METHOXY-5-METHYLPYRIDINE-4-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.306015
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.54049647
• LogD (pH = 7.4): 0.49180505
• Log P: 0.5424
• Molar Refractivity: 39.951 cm^3
• Polarizability: 16.943523 Å^3
• Polar Surface Area: 62.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%