3-fluoro-2-(trimethylsilyl)pyridine

• ChemBase ID: 99421
• Molecular Formular: C8H12FNSi
• Molecular Mass: 169.2714832
• Monoisotopic Mass: 169.07230414
• SMILES: n1c(c(ccc1)F)[Si](C)(C)C
• Canonical SMILES: Fc1cccnc1[Si](C)(C)C
• InChI: InChI=1S/C8H12FNSi/c1-11(2,3)8-7(9)5-4-6-10-8/h4-6H,1-3H3
• InChIKey: PLAVGOMINOBWRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-(trimethylsilyl)pyridine
• IUPAC Traditional name: 3-fluoro-2-(trimethylsilyl)pyridine
• Synonyms: 3-Fluoro-2-(trimethylsilyl)pyridine

Database IDs

• CAS Number: 87674-09-7
• MDL Number: MFCD07781237
• PubChem SID: 162085689
• PubChem CID: 11367290

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1564424
• LogD (pH = 7.4): 3.157388
• Log P: 3.1574
• Molar Refractivity: 40.4946 cm^3
• Polarizability: 17.550207 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant