6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol

• ChemBase ID: 806700
• Molecular Formular: C11H16BNO3
• Molecular Mass: 221.06064
• Monoisotopic Mass: 221.12232378
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)O
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)O
• InChI: InChI=1S/C11H16BNO3/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-9(14)13-8/h5-7H,1-4H3,(H,13,14)
• InChIKey: MKKJTADNAAPSQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol
• IUPAC Traditional name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol
• Synonyms: 6-HYDROXYPYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• Acid pKa: 10.739867
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.7012973
• LogD (pH = 7.4): 3.7011106
• Log P: 3.7013
• Molar Refractivity: 56.1641 cm^3
• Polarizability: 23.717821 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%