2-tert-butyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 804868
• Molecular Formular: C15H24BNO2
• Molecular Mass: 261.16756
• Monoisotopic Mass: 261.19000941
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)C(C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)C(C)(C)C
• InChI: InChI=1S/C15H24BNO2/c1-13(2,3)11-9-8-10-12(17-11)16-18-14(4,5)15(6,7)19-16/h8-10H,1-7H3
• InChIKey: FHHFJOJIXSGQEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-tert-butyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 6-(TERT-BUTYL)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.3131995
• LogD (pH = 7.4): 5.3133974
• Log P: 5.3134
• Molar Refractivity: 72.1636 cm^3
• Polarizability: 30.402426 Å^3

PROPERTIES

Product Information

• Purity: 98%