2-methyl-5-(tributylstannyl)pyridine

• ChemBase ID: 64864
• Molecular Formular: C18H33NSn
• Molecular Mass: 382.16232
• Monoisotopic Mass: 383.16349406
• SMILES: c1c(ncc(c1)[Sn](CCCC)(CCCC)CCCC)C
• Canonical SMILES: CCCC[Sn](c1ccc(nc1)C)(CCCC)CCCC
• InChI: InChI=1S/C6H6N.3C4H9.Sn/c1-6-4-2-3-5-7-6;3*1-3-4-2;/h2,4-5H,1H3;3*1,3-4H2,2H3
• InChIKey: GQSHSSUYFVJPOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-methyl-5-(tributylstannyl)pyridine
• Synonyms: 2-Methyl-5-(tributylstannyl)pyridine

Database IDs

• CAS Number: 167556-64-1
• MDL Number: MFCD12827559
• PubChem SID: 162030603
• PubChem CID: 18329363

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3060403
• LogD (pH = 7.4): 3.9674928
• Log P: 3.9896
• Molar Refractivity: 86.3246 cm^3
• Polarizability: 38.595715 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: 96%