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

• ChemBase ID: 802086
• Molecular Formular: C17H20BNO2
• Molecular Mass: 281.1572
• Monoisotopic Mass: 281.15870929
• SMILES: n1c(cccc1B1OC(C(O1)(C)C)(C)C)c1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)c1ccccc1
• InChI: InChI=1S/C17H20BNO2/c1-16(2)17(3,4)21-18(20-16)15-12-8-11-14(19-15)13-9-6-5-7-10-13/h5-12H,1-4H3
• InChIKey: XSYHMNBSHIUSPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-phenyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-PHENYL-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): 5.3705707
• LogD (pH = 7.4): 5.3705997
• Log P: 5.3706
• Molar Refractivity: 78.6339 cm^3
• Polarizability: 34.128086 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%