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

• ChemBase ID: 23695
• Molecular Formular: C10H12ClNSi
• Molecular Mass: 209.74748
• Monoisotopic Mass: 209.0427536
• SMILES: c1cnc(c(c1)C#C[Si](C)(C)C)Cl
• Canonical SMILES: Clc1ncccc1C#C[Si](C)(C)C
• InChI: InChI=1S/C10H12ClNSi/c1-13(2,3)8-6-9-5-4-7-12-10(9)11/h4-5,7H,1-3H3
• InChIKey: SBSZJRBQSBKNGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 470463-35-5
• MDL Number: MFCD04039859
• PubChem SID: 160987002
• PubChem CID: 17998778

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.622596
• LogD (pH = 7.4): 3.6225998
• Log P: 3.6226
• Molar Refractivity: 50.0038 cm^3
• Polarizability: 22.401062 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%; 98%
• Empirical Formula (Hill Notation): C10H12ClNSi

DETAILS

Sigma Aldrich - ADE000240

Other Notes
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