4-chloro-2-(tributylstannyl)pyridine

• ChemBase ID: 63899
• Molecular Formular: C17H30ClNSn
• Molecular Mass: 402.5808
• Monoisotopic Mass: 403.10887165
• SMILES: c1(cc(ccn1)Cl)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1nccc(c1)Cl)(CCCC)CCCC
• InChI: InChI=1S/C5H3ClN.3C4H9.Sn/c6-5-1-3-7-4-2-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3
• InChIKey: ISUMXRDJZLNDIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(tributylstannyl)pyridine
• IUPAC Traditional name: 4-chloro-2-(tributylstannyl)pyridine
• Synonyms: 4-Chloro-2-(tributylstannyl)pyridine

Database IDs

• CAS Number: 1204580-71-1
• MDL Number: MFCD09870067
• PubChem SID: 162029638
• PubChem CID: 44118221

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.904346
• LogD (pH = 7.4): 5.0336647
• Log P: 5.0356
• Molar Refractivity: 86.8514 cm^3
• Polarizability: 38.75239 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: 97%