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

• ChemBase ID: 804893
• Molecular Formular: C13H20BNO3
• Molecular Mass: 249.1138
• Monoisotopic Mass: 249.15362391
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)OCC
• Canonical SMILES: CCOc1cccc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO3/c1-6-16-11-9-7-8-10(15-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
• InChIKey: KRJIWZKGTFCRLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.075499
• LogD (pH = 7.4): 4.0755
• Log P: 4.0755
• Molar Refractivity: 65.395 cm^3
• Polarizability: 27.46901 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%