4-fluoro-3,5-bis(tributylstannyl)pyridine

• ChemBase ID: 64413
• Molecular Formular: C29H56FNSn2
• Molecular Mass: 675.1620432
• Monoisotopic Mass: 677.24406702
• SMILES: c1(c([Sn](CCCC)(CCCC)CCCC)cncc1[Sn](CCCC)(CCCC)CCCC)F
• Canonical SMILES: CCCC[Sn](c1cncc(c1F)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
• InChI: InChI=1S/C5H2FN.6C4H9.2Sn/c6-5-1-3-7-4-2-5;6*1-3-4-2;;/h3-4H;6*1,3-4H2,2H3
• InChIKey: BULNDTVEVKSTDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3,5-bis(tributylstannyl)pyridine
• IUPAC Traditional name: 4-fluoro-3,5-bis(tributylstannyl)pyridine
• Synonyms: 4-Fluoro-3,5-bis(tributylstannyl)pyridine

Database IDs

• CAS Number: 1204580-75-5
• MDL Number: MFCD10699174
• PubChem SID: 162030152
• PubChem CID: 44118235

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.862882
• LogD (pH = 7.4): 7.039861
• Log P: 7.0428
• Molar Refractivity: 139.7815 cm^3
• Polarizability: 64.023026 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%