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

• ChemBase ID: 64985
• Molecular Formular: C11H15BFNO2
• Molecular Mass: 223.0517032
• Monoisotopic Mass: 223.11798735
• SMILES: c1(cncc(c1)B1OC(C(O1)(C)C)(C)C)F
• Canonical SMILES: Fc1cncc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-9(13)7-14-6-8/h5-7H,1-4H3
• InChIKey: VFMTUTYBMBTIGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 719268-92-5
• MDL Number: MFCD07780754
• PubChem SID: 162030724
• PubChem CID: 16414268

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.727969
• LogD (pH = 7.4): 2.7279997
• Log P: 2.728
• Molar Refractivity: 53.7726 cm^3
• Polarizability: 22.77851 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 98%