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

• ChemBase ID: 802085
• Molecular Formular: C17H20BNO2
• Molecular Mass: 281.1572
• Monoisotopic Mass: 281.15870929
• SMILES: n1c(cc(cc1)c1ccccc1)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1nccc(c1)c1ccccc1
• InChI: InChI=1S/C17H20BNO2/c1-16(2)17(3,4)21-18(20-16)15-12-14(10-11-19-15)13-8-6-5-7-9-13/h5-12H,1-4H3
• InChIKey: CSZNXTDXCSVSTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.971369
• LogD (pH = 7.4): 4.9714985
• Log P: 4.9715
• Molar Refractivity: 79.0059 cm^3
• Polarizability: 34.124138 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%