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

• ChemBase ID: 815172
• Molecular Formular: C11H14BClFNO2
• Molecular Mass: 257.4967632
• Monoisotopic Mass: 257.07901499
• SMILES: n1c(cc(cc1B1OC(C(O1)(C)C)(C)C)F)Cl
• Canonical SMILES: Fc1cc(nc(c1)Cl)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H14BClFNO2/c1-10(2)11(3,4)17-12(16-10)8-5-7(14)6-9(13)15-8/h5-6H,1-4H3
• InChIKey: BXLIHNYHDJVULS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-fluoro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-chloro-4-fluoro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-chloro-4-fluoro-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): 4.3153
• LogD (pH = 7.4): 4.3153
• Log P: 4.3153
• Molar Refractivity: 59.9522 cm^3
• Polarizability: 24.76826 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%