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

• ChemBase ID: 99415
• Molecular Formular: C12H17BFNO2
• Molecular Mass: 237.0782832
• Monoisotopic Mass: 237.13363741
• SMILES: B1(c2ccc(nc2F)C)OC(C)(C)C(O1)(C)C
• Canonical SMILES: Cc1ccc(c(n1)F)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H17BFNO2/c1-8-6-7-9(10(14)15-8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3
• InChIKey: ZWZCQNDLGZWCQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-fluoro-6-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-Fluoro-6-methylpyridine-3-boronic acid, pinacol ester; 2-Fluoro-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Database IDs

• CAS Number: 1218790-38-5
• MDL Number: MFCD08063091
• PubChem SID: 162085683
• PubChem CID: 44717655

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3558
• LogD (pH = 7.4): 3.3558
• Log P: 3.3558
• Molar Refractivity: 59.3788 cm^3
• Polarizability: 24.539946 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%