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

• ChemBase ID: 289852
• Molecular Formular: C13H20BNO2
• Molecular Mass: 233.1144
• Monoisotopic Mass: 233.15870929
• SMILES: CC1(C)C(C)(C)OB(c2cc(C)nc(C)c2)O1
• Canonical SMILES: Cc1cc(cc(n1)C)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO2/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3
• InChIKey: XYNDKPYVNTVDAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2,6-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Database IDs

• CAS Number: 325142-95-8
• PubChem SID: 180675383
• PubChem CID: 12007219

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9190843
• LogD (pH = 7.4): 2.9295647
• Log P: 2.9297
• Molar Refractivity: 62.7392 cm^3
• Polarizability: 26.634792 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%