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

• ChemBase ID: 97809
• Molecular Formular: C18H30F3NSn
• Molecular Mass: 436.1337096
• Monoisotopic Mass: 437.13522863
• SMILES: n1c(ccc(c1)C(F)(F)F)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cn1)C(F)(F)F)(CCCC)CCCC
• InChI: InChI=1S/C6H3F3N.3C4H9.Sn/c7-6(8,9)5-2-1-3-10-4-5;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3
• InChIKey: QPRVUMOOSDCPRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tributylstannyl)-5-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-(tributylstannyl)-5-(trifluoromethyl)pyridine
• Synonyms: [5-(Trifluoromethyl)pyridin-2-yl]tributylstannane; 2-(Tributylstannyl)-5-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 659722-71-1
• MDL Number: MFCD12026328
• PubChem SID: 162084352
• PubChem CID: 44118317

CALCULATED PROPERTIES

• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2195606
• LogD (pH = 7.4): 5.397563
• Log P: 5.4004
• Molar Refractivity: 88.0203 cm^3
• Polarizability: 38.046154 Å^3

PROPERTIES

Safety Information

• Storage Warning: Toxic/Harmful/Air Sensitive/Moisture Sensitive/Keep Cold/Store under Argon