[6-(dimethylamino)pyridin-2-yl]boronic acid

• ChemBase ID: 804106
• Molecular Formular: C7H11BN2O2
• Molecular Mass: 165.98544
• Monoisotopic Mass: 166.091358
• SMILES: B(O)(O)c1nc(ccc1)N(C)C
• Canonical SMILES: OB(c1cccc(n1)N(C)C)O
• InChI: InChI=1S/C7H11BN2O2/c1-10(2)7-5-3-4-6(9-7)8(11)12/h3-5,11-12H,1-2H3
• InChIKey: ZDKXOTJOOAFCFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(dimethylamino)pyridin-2-yl]boronic acid
• IUPAC Traditional name: 6-(dimethylamino)pyridin-2-ylboronic acid
• Synonyms: 6-(DIMETHYLAMINO)PYRIDINE-2-BORONIC ACID

CALCULATED PROPERTIES

• Polarizability: 17.468466 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 8.049592
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.984038
• LogD (pH = 7.4): 1.9017783
• Log P: 1.9895
• Molar Refractivity: 43.5022 cm^3

PROPERTIES

Product Information

• Purity: 98%