3,5-bis(trimethylsilyl)pyridine-4-carbonitrile

• ChemBase ID: 71298
• Molecular Formular: C12H20N2Si2
• Molecular Mass: 248.4716
• Monoisotopic Mass: 248.11650171
• SMILES: c1(c([Si](C)(C)C)cncc1[Si](C)(C)C)C#N
• Canonical SMILES: N#Cc1c(cncc1[Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C12H20N2Si2/c1-15(2,3)11-8-14-9-12(10(11)7-13)16(4,5)6/h8-9H,1-6H3
• InChIKey: OACKXRICLZHJSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-bis(trimethylsilyl)pyridine-4-carbonitrile
• IUPAC Traditional name: 3,5-bis(trimethylsilyl)pyridine-4-carbonitrile
• Synonyms: 4-Cyano-3,5-(ditrimethylsilyl)pyridine

Database IDs

• CAS Number: 827616-49-9
• MDL Number: MFCD09701446
• PubChem SID: 162036888
• PubChem CID: 12180886

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7188897
• LogD (pH = 7.4): 3.7189
• Log P: 3.7189
• Molar Refractivity: 61.7499 cm^3
• Polarizability: 28.175556 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT