2-chloro-3-(trimethylsilyl)pyridine

• ChemBase ID: 64310
• Molecular Formular: C8H12ClNSi
• Molecular Mass: 185.72608
• Monoisotopic Mass: 185.0427536
• SMILES: c1(c([Si](C)(C)C)cccn1)Cl
• Canonical SMILES: Clc1ncccc1[Si](C)(C)C
• InChI: InChI=1S/C8H12ClNSi/c1-11(2,3)7-5-4-6-10-8(7)9/h4-6H,1-3H3
• InChIKey: XBHSRUYPAJUPIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(trimethylsilyl)pyridine
• IUPAC Traditional name: 2-chloro-3-(trimethylsilyl)pyridine
• Synonyms: 2-Chloro-3-(trimethylsilyl)pyridine

Database IDs

• CAS Number: 77332-76-4
• MDL Number: MFCD09763704
• PubChem SID: 162030049
• PubChem CID: 12602197

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2079806
• LogD (pH = 7.4): 3.2079997
• Log P: 3.208
• Molar Refractivity: 45.8308 cm^3
• Polarizability: 19.813168 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 96%