[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methanol

• ChemBase ID: 806353
• Molecular Formular: C12H18BNO3
• Molecular Mass: 235.08722
• Monoisotopic Mass: 235.13797384
• SMILES: CC1(C)OB(OC1(C)C)c1ncc(cc1)CO
• Canonical SMILES: OCc1ccc(nc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)10-6-5-9(8-15)7-14-10/h5-7,15H,8H2,1-4H3
• InChIKey: UMDVOCILWMXPGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methanol
• Synonyms: 5-(HYDROXYMETHYL)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• Acid pKa: 14.568127
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.451751
• LogD (pH = 7.4): 2.4517994
• Log P: 2.4518
• Molar Refractivity: 60.6856 cm^3
• Polarizability: 25.562214 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%