2-chloro-3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 294700
• Molecular Formular: C11H14BClFNO2
• Molecular Mass: 257.4967632
• Monoisotopic Mass: 257.07901499
• SMILES: CC1(C)C(C)(C)OB(c2cnc(Cl)c(F)c2)O1
• Canonical SMILES: Clc1ncc(cc1F)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H14BClFNO2/c1-10(2)11(3,4)17-12(16-10)7-5-8(14)9(13)15-6-7/h5-6H,1-4H3
• InChIKey: QTSFEDRDXGFGKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-chloro-3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-Chloro-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Database IDs

• CAS Number: 1073312-28-3
• MDL Number: MFCD08063077
• PubChem SID: 180680231
• PubChem CID: 53398541

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6167
• LogD (pH = 7.4): 3.6167
• Log P: 3.6167
• Molar Refractivity: 59.6387 cm^3
• Polarizability: 24.792688 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%