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

• ChemBase ID: 286873
• Molecular Formular: C11H15BFNO2
• Molecular Mass: 223.0517032
• Monoisotopic Mass: 223.11798735
• SMILES: CC1(C)C(C)(C)OB(c2ncc(F)cc2)O1
• Canonical SMILES: Fc1ccc(nc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)9-6-5-8(13)7-14-9/h5-7H,1-4H3
• InChIKey: WDUWZTFQBAISOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 5-FLUOROPYRIDINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 791819-04-0
• MDL Number: MFCD07367520
• PubChem SID: 180672404
• PubChem CID: 17750466

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4265997
• LogD (pH = 7.4): 3.4266
• Log P: 3.4266
• Molar Refractivity: 54.0861 cm^3
• Polarizability: 22.78221 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%