4-chloro-3-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase ID: 51622
• Molecular Formular: C10H12ClNSi
• Molecular Mass: 209.74748
• Monoisotopic Mass: 209.0427536
• SMILES: c1cncc(c1Cl)C#C[Si](C)(C)C
• Canonical SMILES: Clc1ccncc1C#C[Si](C)(C)C
• InChI: InChI=1S/C10H12ClNSi/c1-13(2,3)7-5-9-8-12-6-4-10(9)11/h4,6,8H,1-3H3
• InChIKey: GPODELODEGHSTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-[2-(trimethylsilyl)ethynyl]pyridine
• IUPAC Traditional name: 4-chloro-3-[2-(trimethylsilyl)ethynyl]pyridine
• Synonyms: 4-Chloro-3-((trimethylsilyl)ethynyl)pyridine; 4-Chloro-3-((trimethylsilyl)ethynyl)pyridine

Database IDs

• CAS Number: 1034467-33-8
• MDL Number: MFCD15530294
• PubChem SID: 162056385
• PubChem CID: 46318158

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2492402
• LogD (pH = 7.4): 3.2518663
• Log P: 3.2519
• Molar Refractivity: 48.9425 cm^3
• Polarizability: 22.34203 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H12ClNSi

DETAILS

Sigma Aldrich - ADE000811

Other Notes
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