3-fluoro-5-(tributylstannyl)pyridine

• ChemBase ID: 64986
• Molecular Formular: C17H30FNSn
• Molecular Mass: 386.1262032
• Monoisotopic Mass: 387.13842219
• SMILES: c1(cncc(c1)[Sn](CCCC)(CCCC)CCCC)F
• Canonical SMILES: CCCC[Sn](c1cncc(c1)F)(CCCC)CCCC
• InChI: InChI=1S/C5H3FN.3C4H9.Sn/c6-5-2-1-3-7-4-5;3*1-3-4-2;/h2-4H;3*1,3-4H2,2H3
• InChIKey: JVQSRANXWHNNRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-(tributylstannyl)pyridine
• IUPAC Traditional name: 3-fluoro-5-(tributylstannyl)pyridine
• Synonyms: 3-Fluoro-5-(tributylstannyl)pyridine

Database IDs

• CAS Number: 871942-19-7
• MDL Number: MFCD13152000
• PubChem SID: 162030725
• PubChem CID: 46839977

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.957225
• LogD (pH = 7.4): 3.958484
• Log P: 3.9585
• Molar Refractivity: 81.9495 cm^3
• Polarizability: 36.569164 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: 94%