2,3,5,6-tetramethoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 102030
• Molecular Formular: C15H24BNO6
• Molecular Mass: 325.16516
• Monoisotopic Mass: 325.16966789
• SMILES: c1(c(nc(c(c1B1OC(C(O1)(C)C)(C)C)OC)OC)OC)OC
• Canonical SMILES: COc1c(OC)nc(c(c1B1OC(C(O1)(C)C)(C)C)OC)OC
• InChI: InChI=1S/C15H24BNO6/c1-14(2)15(3,4)23-16(22-14)9-10(18-5)12(20-7)17-13(21-8)11(9)19-6/h1-8H3
• InChIKey: HFGRCPJXQVCNSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162105655
• PubChem CID: 71300149

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.9748998
• LogD (pH = 7.4): 2.9749
• Log P: 2.9749
• Molar Refractivity: 80.036 cm^3
• Polarizability: 33.24458 Å^3
• Polar Surface Area: 68.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%