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

• ChemBase ID: 64226
• Molecular Formular: C18H32FNSn
• Molecular Mass: 400.1527832
• Monoisotopic Mass: 401.15407225
• SMILES: n1c(c(cc([Sn](CCCC)(CCCC)CCCC)c1)C)F
• Canonical SMILES: CCCC[Sn](c1cnc(c(c1)C)F)(CCCC)CCCC
• InChI: InChI=1S/C6H5FN.3C4H9.Sn/c1-5-3-2-4-8-6(5)7;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3
• InChIKey: RQUAKCLDWVTFDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-methyl-5-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-fluoro-3-methyl-5-(tributylstannyl)pyridine
• Synonyms: 2-Fluoro-3-methyl-5-(tributylstannyl)pyridine

Database IDs

• CAS Number: 405556-98-1
• MDL Number: MFCD09025798
• PubChem SID: 162029965
• PubChem CID: 16427124

CALCULATED PROPERTIES

• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.882899
• LogD (pH = 7.4): 4.8828998
• Log P: 4.8829
• Molar Refractivity: 88.0054 cm^3
• Polarizability: 38.324707 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic
• TSCA Listed: false