5-(tributylstannyl)-2-(trifluoromethyl)pyridine

• ChemBase ID: 64487
• Molecular Formular: C18H30F3NSn
• Molecular Mass: 436.1337096
• Monoisotopic Mass: 437.13522863
• SMILES: C(c1ncc([Sn](CCCC)(CCCC)CCCC)cc1)(F)(F)F
• Canonical SMILES: CCCC[Sn](c1ccc(nc1)C(F)(F)F)(CCCC)CCCC
• InChI: InChI=1S/C6H3F3N.3C4H9.Sn/c7-6(8,9)5-3-1-2-4-10-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3
• InChIKey: YHSXJEYVXPPZAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(tributylstannyl)-2-(trifluoromethyl)pyridine
• IUPAC Traditional name: 5-(tributylstannyl)-2-(trifluoromethyl)pyridine
• Synonyms: 5-Tributylstannyl-2-trifluoromethylpyridine

Database IDs

• CAS Number: 1204580-76-6
• MDL Number: MFCD11109387
• PubChem SID: 162030226
• PubChem CID: 17959541

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1008224
• LogD (pH = 7.4): 5.100899
• Log P: 5.1009
• Molar Refractivity: 87.3348 cm^3
• Polarizability: 38.04914 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%