2,4-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 802071
• Molecular Formular: C13H20BNO2
• Molecular Mass: 233.1144
• Monoisotopic Mass: 233.15870929
• SMILES: n1c(cc(cc1B1OC(C(O1)(C)C)(C)C)C)C
• Canonical SMILES: Cc1cc(C)nc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO2/c1-9-7-10(2)15-11(8-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3
• InChIKey: BJKJNCWYPNHGQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2,4-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2,4-DIMETHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9213288
• LogD (pH = 7.4): 3.9248548
• Log P: 3.9249
• Molar Refractivity: 63.5024 cm^3
• Polarizability: 26.636711 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%