3-chloro-2-(trimethylsilyl)pyridine

• ChemBase ID: 806373
• Molecular Formular: C8H12ClNSi
• Molecular Mass: 185.72608
• Monoisotopic Mass: 185.0427536
• SMILES: n1c(c(ccc1)Cl)[Si](C)(C)C
• Canonical SMILES: Clc1cccnc1[Si](C)(C)C
• InChI: InChI=1S/C8H12ClNSi/c1-11(2,3)8-7(9)5-4-6-10-8/h4-6H,1-3H3
• InChIKey: XNOIHNJGVIXXDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-(trimethylsilyl)pyridine
• IUPAC Traditional name: 3-chloro-2-(trimethylsilyl)pyridine
• Synonyms: 3-CHLORO-2-(TRIMETHYLSILYL)PYRIDINE

Database IDs

• CAS Number: 79698-47-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5321016
• LogD (pH = 7.4): 3.535852
• Log P: 3.5359
• Molar Refractivity: 45.083 cm^3
• Polarizability: 19.7661 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%