2-chloro-5-methyl-3-(trimethylsilyl)pyridine

• ChemBase ID: 50576
• Molecular Formular: C9H14ClNSi
• Molecular Mass: 199.75266
• Monoisotopic Mass: 199.05840367
• SMILES: c1(cnc(c(c1)[Si](C)(C)C)Cl)C
• Canonical SMILES: Cc1cnc(c(c1)[Si](C)(C)C)Cl
• InChI: InChI=1S/C9H14ClNSi/c1-7-5-8(12(2,3)4)9(10)11-6-7/h5-6H,1-4H3
• InChIKey: RXWJBHXAWWUHQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1203498-92-3
• MDL Number: MFCD13563058
• PubChem SID: 162055339
• PubChem CID: 46318119

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6751494
• LogD (pH = 7.4): 3.6751993
• Log P: 3.6752
• Molar Refractivity: 50.872 cm^3
• Polarizability: 21.573305 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C9H14ClNSi

DETAILS

Sigma Aldrich - ADE000764

Other Notes
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