5-chloro-2-(tributylstannyl)pyridine

• ChemBase ID: 64388
• Molecular Formular: C17H30ClNSn
• Molecular Mass: 402.5808
• Monoisotopic Mass: 403.10887165
• SMILES: c1(cnc(cc1)[Sn](CCCC)(CCCC)CCCC)Cl
• Canonical SMILES: CCCC[Sn](c1ccc(cn1)Cl)(CCCC)CCCC
• InChI: InChI=1S/C5H3ClN.3C4H9.Sn/c6-5-2-1-3-7-4-5;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3
• InChIKey: MHSMAFNXVWZVOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(tributylstannyl)pyridine
• IUPAC Traditional name: 5-chloro-2-(tributylstannyl)pyridine
• Synonyms: 5-Chloro-2-(tributylstannyl)pyridine

Database IDs

• CAS Number: 611168-63-9
• MDL Number: MFCD10699156
• PubChem SID: 162030127
• PubChem CID: 44118228

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.002541
• LogD (pH = 7.4): 5.035167
• Log P: 5.0356
• Molar Refractivity: 86.8514 cm^3
• Polarizability: 38.765274 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%