3-chloro-5-(tributylstannyl)pyridine

• ChemBase ID: 64390
• Molecular Formular: C17H30ClNSn
• Molecular Mass: 402.5808
• Monoisotopic Mass: 403.10887165
• SMILES: c1(cc(Cl)cnc1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cncc(c1)Cl)(CCCC)CCCC
• InChI: InChI=1S/C5H3ClN.3C4H9.Sn/c6-5-2-1-3-7-4-5;3*1-3-4-2;/h2-4H;3*1,3-4H2,2H3
• InChIKey: GGSUJOOLZJBTEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-(tributylstannyl)pyridine
• IUPAC Traditional name: 3-chloro-5-(tributylstannyl)pyridine
• Synonyms: 5-Chloro-3-(tributylstannyl)pyridine

Database IDs

• CAS Number: 206115-67-5
• MDL Number: MFCD10699158
• PubChem SID: 162030129
• PubChem CID: 10692506

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3318553
• LogD (pH = 7.4): 4.3369346
• Log P: 4.337
• Molar Refractivity: 86.5379 cm^3
• Polarizability: 38.764347 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: 92%