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

• ChemBase ID: 810510
• Molecular Formular: C13H18BNO4
• Molecular Mass: 263.09732
• Monoisotopic Mass: 263.13288846
• SMILES: CC1(C)OB(OC1(C)C)c1ncc(cc1)C(=O)OC
• Canonical SMILES: COC(=O)c1ccc(nc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)10-7-6-9(8-15-10)11(16)17-5/h6-8H,1-5H3
• InChIKey: KFXVZMPKHCLRTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
• Synonyms: 5-(METHOXYCARBONYL)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4346983
• LogD (pH = 7.4): 3.4347
• Log P: 3.4347
• Molar Refractivity: 65.895 cm^3
• Polarizability: 27.54476 Å^3
• Polar Surface Area: 57.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%