2-fluoro-4-methyl-5-(tributylstannyl)pyridine

• ChemBase ID: 64844
• Molecular Formular: C18H32FNSn
• Molecular Mass: 400.1527832
• Monoisotopic Mass: 401.15407225
• SMILES: c1c(ncc(c1C)[Sn](CCCC)(CCCC)CCCC)F
• Canonical SMILES: CCCC[Sn](c1cnc(cc1C)F)(CCCC)CCCC
• InChI: InChI=1S/C6H5FN.3C4H9.Sn/c1-5-2-3-8-6(7)4-5;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3
• InChIKey: CJJQSWYAAIGFPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-methyl-5-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-fluoro-4-methyl-5-(tributylstannyl)pyridine
• Synonyms: 2-Fluoro-4-methyl-5-(tributylstannyl)pyridine

Database IDs

• CAS Number: 1245816-06-1
• MDL Number: MFCD12827558
• PubChem SID: 162030583
• PubChem CID: 46839975

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.882898
• LogD (pH = 7.4): 4.8828998
• Log P: 4.8829
• Molar Refractivity: 88.0054 cm^3
• Polarizability: 38.321724 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: 96%