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

• ChemBase ID: 286967
• Molecular Formular: C11H15BFNO2
• Molecular Mass: 223.0517032
• Monoisotopic Mass: 223.11798735
• SMILES: CC1(C)C(C)(C)OB(c2cccc(F)n2)O1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)F
• InChI: InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-9(13)14-8/h5-7H,1-4H3
• InChIKey: WGPVNHXZZUGSMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-fluoro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 6-FLUOROPYRIDINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 842136-58-7
• MDL Number: MFCD08063029
• PubChem SID: 180672498
• PubChem CID: 42614576

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8838
• LogD (pH = 7.4): 3.8838
• Log P: 3.8838
• Molar Refractivity: 55.1008 cm^3
• Polarizability: 22.78229 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%