2,6-dimethyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,6-dicarboxylate

• ChemBase ID: 290739
• Molecular Formular: C15H20BNO6
• Molecular Mass: 321.1334
• Monoisotopic Mass: 321.13836777
• SMILES: O=C(c1nc(C(=O)OC)cc(B2OC(C)(C)C(C)(C)O2)c1)OC
• Canonical SMILES: COC(=O)c1cc(cc(n1)C(=O)OC)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C15H20BNO6/c1-14(2)15(3,4)23-16(22-14)9-7-10(12(18)20-5)17-11(8-9)13(19)21-6/h7-8H,1-6H3
• InChIKey: BQULHACFOJDBBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 741709-66-0
• PubChem SID: 180676270
• PubChem CID: 49760411

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4819
• LogD (pH = 7.4): 2.4819
• Log P: 2.4819
• Molar Refractivity: 76.8628 cm^3
• Polarizability: 32.029243 Å^3
• Polar Surface Area: 83.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%