2-chloro-4-iodo-5-methyl-3-(trimethylsilyl)pyridine

• ChemBase ID: 50590
• Molecular Formular: C9H13ClINSi
• Molecular Mass: 325.64919
• Monoisotopic Mass: 324.95505163
• SMILES: c1(cnc(c(c1I)[Si](C)(C)C)Cl)C
• Canonical SMILES: Cc1cnc(c(c1I)[Si](C)(C)C)Cl
• InChI: InChI=1S/C9H13ClINSi/c1-6-5-12-9(10)8(7(6)11)13(2,3)4/h5H,1-4H3
• InChIKey: COWFPCLCFDUTGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-iodo-5-methyl-3-(trimethylsilyl)pyridine
• IUPAC Traditional name: 2-chloro-4-iodo-5-methyl-3-(trimethylsilyl)pyridine
• Synonyms: 2-Chloro-4-iodo-5-methyl-3-(trimethylsilyl)pyridine; 2-Chloro-4-iodo-5-methyl-3-(trimethylsilyl)-pyridine; 2-Chloro-4-iodo-5-methyl-3-(trimethylsilyl)pyridine

Database IDs

• MDL Number: MFCD13563069
• PubChem SID: 162055353
• PubChem CID: 46318133

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6657953
• LogD (pH = 7.4): 4.6658
• Log P: 4.6658
• Molar Refractivity: 64.2345 cm^3
• Polarizability: 26.76011 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): C9H13ClINSi

DETAILS

Sigma Aldrich - ADE000782

Other Notes
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