ethyl 6-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate

• ChemBase ID: 814073
• Molecular Formular: C15H22BNO5
• Molecular Mass: 307.14988
• Monoisotopic Mass: 307.15910321
• SMILES: O(C(=O)c1cc(cc(n1)OC)B1OC(C(O1)(C)C)(C)C)CC
• Canonical SMILES: CCOC(=O)c1cc(cc(n1)OC)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C15H22BNO5/c1-7-20-13(18)11-8-10(9-12(17-11)19-6)16-21-14(2,3)15(4,5)22-16/h8-9H,7H2,1-6H3
• InChIKey: IWIPJHIUADMVPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
• Synonyms: ethyl 6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3236
• LogD (pH = 7.4): 3.3236
• Log P: 3.3236
• Molar Refractivity: 76.7348 cm^3
• Polarizability: 31.922857 Å^3
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%