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

• ChemBase ID: 806230
• Molecular Formular: C11H16BNO3
• Molecular Mass: 221.06064
• Monoisotopic Mass: 221.12232378
• SMILES: CC1(C)OB(OC1(C)C)c1ncc(cc1)O
• Canonical SMILES: Oc1ccc(nc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H16BNO3/c1-10(2)11(3,4)16-12(15-10)9-6-5-8(14)7-13-9/h5-7,14H,1-4H3
• InChIKey: LZPQXSAHAXDVRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ol
• IUPAC Traditional name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ol
• Synonyms: 5-HYDROXYPYRIDINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1310383-01-7

CALCULATED PROPERTIES

• Acid pKa: 7.9771576
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0012164
• LogD (pH = 7.4): 2.906
• Log P: 3.0027
• Molar Refractivity: 55.8506 cm^3
• Polarizability: 23.715046 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%