2-chloro-3-fluoro-5-(tributylstannyl)pyridine

• ChemBase ID: 64846
• Molecular Formular: C17H29ClFNSn
• Molecular Mass: 420.5712632
• Monoisotopic Mass: 421.09944983
• SMILES: c1(c(ncc(c1)[Sn](CCCC)(CCCC)CCCC)Cl)F
• Canonical SMILES: CCCC[Sn](c1cnc(c(c1)F)Cl)(CCCC)CCCC
• InChI: InChI=1S/C5H2ClFN.3C4H9.Sn/c6-5-4(7)2-1-3-8-5;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3
• InChIKey: RVWINZZAKLQMEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-fluoro-5-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-chloro-3-fluoro-5-(tributylstannyl)pyridine
• Synonyms: 2-Chloro-3-fluoro-5-(tributylstannyl)pyridine

Database IDs

• CAS Number: 405556-97-0
• MDL Number: MFCD12827556
• PubChem SID: 162030585
• PubChem CID: 46839941

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8471994
• LogD (pH = 7.4): 4.8472
• Log P: 4.8472
• Molar Refractivity: 87.8156 cm^3
• Polarizability: 38.59341 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%