3,5-difluoro-2-(tributylstannyl)pyridine

• ChemBase ID: 64468
• Molecular Formular: C17H29F2NSn
• Molecular Mass: 404.1166664
• Monoisotopic Mass: 405.12900037
• SMILES: c1(ncc(cc1F)F)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ncc(cc1F)F)(CCCC)CCCC
• InChI: InChI=1S/C5H2F2N.3C4H9.Sn/c6-4-1-5(7)3-8-2-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3
• InChIKey: CFYNUOUCHUGXFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-2-(tributylstannyl)pyridine
• IUPAC Traditional name: 3,5-difluoro-2-(tributylstannyl)pyridine
• Synonyms: 3,5-Difluoro-2-tributylstannylpyridine

Database IDs

• CAS Number: 765917-25-7
• MDL Number: MFCD11109378
• PubChem SID: 162030207
• PubChem CID: 22273593

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.796573
• LogD (pH = 7.4): 4.7966
• Log P: 4.7966
• Molar Refractivity: 82.4794 cm^3
• Polarizability: 36.34398 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%