5-bromo-2-chloro-4-(tributylstannyl)pyridine

• ChemBase ID: 65145
• Molecular Formular: C17H29BrClNSn
• Molecular Mass: 481.47686
• Monoisotopic Mass: 481.01938361
• SMILES: c1(cnc(cc1[Sn](CCCC)(CCCC)CCCC)Cl)Br
• Canonical SMILES: CCCC[Sn](c1cc(Cl)ncc1Br)(CCCC)CCCC
• InChI: InChI=1S/C5H2BrClN.3C4H9.Sn/c6-4-1-2-5(7)8-3-4;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3
• InChIKey: BJWFKRKFGNAZCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-chloro-4-(tributylstannyl)pyridine
• IUPAC Traditional name: 5-bromo-2-chloro-4-(tributylstannyl)pyridine
• Synonyms: 5-Bromo-2-chloro-4-(tributylstannyl)pyridine

Database IDs

• CAS Number: 821773-99-3
• MDL Number: MFCD17015005
• PubChem SID: 162030884
• PubChem CID: 46839905

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4995
• LogD (pH = 7.4): 5.4995
• Log P: 5.4995
• Molar Refractivity: 95.222 cm^3
• Polarizability: 41.713238 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