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

• ChemBase ID: 800566
• Molecular Formular: C13H20BNO2
• Molecular Mass: 233.1144
• Monoisotopic Mass: 233.15870929
• SMILES: CC1(C)OB(OC1(C)C)c1nc(c(cc1)C)C
• Canonical SMILES: Cc1ccc(nc1C)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO2/c1-9-7-8-11(15-10(9)2)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3
• InChIKey: CGKLMZFVSBTACG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2,3-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 5,6-DIMETHYLPYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.923182
• LogD (pH = 7.4): 3.9248784
• Log P: 3.9249
• Molar Refractivity: 63.5024 cm^3
• Polarizability: 26.638247 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%