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

• ChemBase ID: 815145
• Molecular Formular: C11H14BCl2NO2
• Molecular Mass: 273.95136
• Monoisotopic Mass: 273.04946445
• SMILES: n1c(cc(cc1B1OC(C(O1)(C)C)(C)C)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)nc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)8-5-7(13)6-9(14)15-8/h5-6H,1-4H3
• InChIKey: CPSNBCSFWBAPMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: NONE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6938
• LogD (pH = 7.4): 4.6938
• Log P: 4.6938
• Molar Refractivity: 64.5406 cm^3
• Polarizability: 26.95771 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%