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

• ChemBase ID: 32522
• Molecular Formular: C8H11ClINSi
• Molecular Mass: 311.62261
• Monoisotopic Mass: 310.93940157
• SMILES: c1cnc(c(c1I)[Si](C)(C)C)Cl
• Canonical SMILES: Ic1ccnc(c1[Si](C)(C)C)Cl
• InChI: InChI=1S/C8H11ClINSi/c1-12(2,3)7-6(10)4-5-11-8(7)9/h4-5H,1-3H3
• InChIKey: RXQKTAFCWPMXTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1138444-01-5
• MDL Number: MFCD11857669
• PubChem SID: 160995829
• PubChem CID: 46736767

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1985984
• LogD (pH = 7.4): 4.1986
• Log P: 4.1986
• Molar Refractivity: 59.1933 cm^3
• Polarizability: 25.023788 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): C8H11ClINSi

DETAILS

Sigma Aldrich - ADE000532

Other Notes
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