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

• ChemBase ID: 804187
• Molecular Formular: C15H22BNO4
• Molecular Mass: 291.15048
• Monoisotopic Mass: 291.16418859
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)OC1COCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)OC1CCOC1
• InChI: InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-13(17-12)19-11-8-9-18-10-11/h5-7,11H,8-10H2,1-4H3
• InChIKey: AAKBXCOMANMIML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-3-yloxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-(oxolan-3-yloxy)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 6-(TETRAHYDRO-FURAN-3-YLOXY)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.5130992
• LogD (pH = 7.4): 3.5131
• Log P: 3.5131
• Molar Refractivity: 74.2565 cm^3
• Polarizability: 31.125294 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%