3,5-difluoro-4-(tributylstannyl)pyridine

• ChemBase ID: 64225
• Molecular Formular: C17H29F2NSn
• Molecular Mass: 404.1166664
• Monoisotopic Mass: 405.12900037
• SMILES: c1(c(F)cncc1F)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1c(F)cncc1F)(CCCC)CCCC
• InChI: InChI=1S/C5H2F2N.3C4H9.Sn/c6-4-1-5(7)3-8-2-4;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3
• InChIKey: ITBMRVUPEVXILF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-4-(tributylstannyl)pyridine
• IUPAC Traditional name: 3,5-difluoro-4-(tributylstannyl)pyridine
• Synonyms: 3,5-Difluoro-4-(tributylstannyl)pyridine; (3,5-Difluoropyridin-4-yl)tributylstannane

Database IDs

• CAS Number: 765916-82-3
• MDL Number: MFCD09025762
• PubChem SID: 162029964
• PubChem CID: 16427123

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0979977
• LogD (pH = 7.4): 4.098
• Log P: 4.098
• Molar Refractivity: 82.1659 cm^3
• Polarizability: 36.344204 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Moisture Sensitive/Store under Argon/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 90%