6-chloro-3-(tributylstannyl)imidazo[1,2-a]pyridine

• ChemBase ID: 65197
• Molecular Formular: C19H31ClN2Sn
• Molecular Mass: 441.61684
• Monoisotopic Mass: 442.11977068
• SMILES: c1c(cn2c(c1)ncc2[Sn](CCCC)(CCCC)CCCC)Cl
• Canonical SMILES: CCCC[Sn](c1cnc2n1cc(Cl)cc2)(CCCC)CCCC
• InChI: InChI=1S/C7H4ClN2.3C4H9.Sn/c8-6-1-2-7-9-3-4-10(7)5-6;3*1-3-4-2;/h1-3,5H;3*1,3-4H2,2H3
• InChIKey: HCWOHDIKRRIJIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-(tributylstannyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-chloro-3-(tributylstannyl)imidazo[1,2-a]pyridine
• Synonyms: 6-Chloro-3-(tributylstannyl)imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 1177264-56-0
• MDL Number: MFCD18325154
• PubChem SID: 162030936
• PubChem CID: 66521772

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4965858
• LogD (pH = 7.4): 4.452376
• Log P: 4.5853
• Molar Refractivity: 97.8265 cm^3
• Polarizability: 42.61804 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false