3-methoxy-2-(tributylstannyl)pyridine

• ChemBase ID: 64392
• Molecular Formular: C18H33NOSn
• Molecular Mass: 398.16172
• Monoisotopic Mass: 399.15840868
• SMILES: c1([Sn](CCCC)(CCCC)CCCC)ncccc1OC
• Canonical SMILES: CCCC[Sn](c1ncccc1OC)(CCCC)CCCC
• InChI: InChI=1S/C6H6NO.3C4H9.Sn/c1-8-6-3-2-4-7-5-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3
• InChIKey: CQLCSQRUZHMOIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-(tributylstannyl)pyridine
• IUPAC Traditional name: 3-methoxy-2-(tributylstannyl)pyridine
• Synonyms: 3-Methoxy-2-(tributylstannyl)pyridine

Database IDs

• CAS Number: 1094072-15-7
• MDL Number: MFCD10699159
• PubChem SID: 162030131
• PubChem CID: 44118230

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7414448
• LogD (pH = 7.4): 4.2518425
• Log P: 4.2649
• Molar Refractivity: 88.5098 cm^3
• Polarizability: 39.37821 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 94%