4-chloro-2-(trimethylsilyl)pyridine

• ChemBase ID: 64349
• Molecular Formular: C8H12ClNSi
• Molecular Mass: 185.72608
• Monoisotopic Mass: 185.0427536
• SMILES: c1(cc(ccn1)Cl)[Si](C)(C)C
• Canonical SMILES: Clc1ccnc(c1)[Si](C)(C)C
• InChI: InChI=1S/C8H12ClNSi/c1-11(2,3)8-6-7(9)4-5-10-8/h4-6H,1-3H3
• InChIKey: RLKBPYBYWSLVLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 139585-50-5
• MDL Number: MFCD09870063
• PubChem SID: 162030088
• PubChem CID: 11148125

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5186543
• LogD (pH = 7.4): 3.5356784
• Log P: 3.5359
• Molar Refractivity: 45.083 cm^3
• Polarizability: 19.754276 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%