(5-amino-6-methylpyridin-3-yl)boronic acid

• ChemBase ID: 801955
• Molecular Formular: C6H9BN2O2
• Molecular Mass: 151.95886
• Monoisotopic Mass: 152.07570794
• SMILES: B(O)(O)c1cc(c(nc1)C)N
• Canonical SMILES: OB(c1cnc(c(c1)N)C)O
• InChI: InChI=1S/C6H9BN2O2/c1-4-6(8)2-5(3-9-4)7(10)11/h2-3,10-11H,8H2,1H3
• InChIKey: UAJYYZIQGVZYLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-amino-6-methylpyridin-3-yl)boronic acid
• IUPAC Traditional name: 5-amino-6-methylpyridin-3-ylboronic acid
• Synonyms: 3-AMINO-2-METHYLPYRIDINE-5-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.541692
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.45002165
• LogD (pH = 7.4): -0.31774724
• Log P: -0.2847
• Molar Refractivity: 37.7385 cm^3
• Polarizability: 15.555135 Å^3
• Polar Surface Area: 79.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%