2-chloro-5-methyl-3-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase ID: 50566
• Molecular Formular: C11H14ClNSi
• Molecular Mass: 223.77406
• Monoisotopic Mass: 223.05840367
• SMILES: c1(cnc(c(c1)C#C[Si](C)(C)C)Cl)C
• Canonical SMILES: Cc1cnc(c(c1)C#C[Si](C)(C)C)Cl
• InChI: InChI=1S/C11H14ClNSi/c1-9-7-10(11(12)13-8-9)5-6-14(2,3)4/h7-8H,1-4H3
• InChIKey: ABYHZEUMHXSVFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methyl-3-[2-(trimethylsilyl)ethynyl]pyridine
• IUPAC Traditional name: 2-chloro-5-methyl-3-[2-(trimethylsilyl)ethynyl]pyridine
• Synonyms: 2-Chloro-5-methyl-3-((trimethylsilyl)ethynyl)pyridine; 2-Chloro-5-methyl-3-[(trimethylsilyl)-ethynyl]pyridine; 2-Chloro-5-methyl-3-((trimethylsilyl)ethynyl)pyridine

Database IDs

• CAS Number: 1203499-58-4
• MDL Number: MFCD13563050
• PubChem SID: 162055329
• PubChem CID: 46318112

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0897894
• LogD (pH = 7.4): 4.0898
• Log P: 4.0898
• Molar Refractivity: 55.045 cm^3
• Polarizability: 24.161821 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): C11H14ClNSi

DETAILS

Sigma Aldrich - ADE000754

Other Notes
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