3-(trimethylsilyl)pyridine-4-carbonitrile

• ChemBase ID: 71303
• Molecular Formular: C9H12N2Si
• Molecular Mass: 176.29048
• Monoisotopic Mass: 176.07697493
• SMILES: N#Cc1c([Si](C)(C)C)cncc1
• Canonical SMILES: N#Cc1ccncc1[Si](C)(C)C
• InChI: InChI=1S/C9H12N2Si/c1-12(2,3)9-7-11-5-4-8(9)6-10/h4-5,7H,1-3H3
• InChIKey: HOEFGISDEWYXLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trimethylsilyl)pyridine-4-carbonitrile
• IUPAC Traditional name: 3-(trimethylsilyl)pyridine-4-carbonitrile
• Synonyms: 4-Cyano-3-(trimethylsilyl)pyridine; 3-(Trimethylsilyl)isonicotinonitrile; 3-(Trimethylsilyl)pyridine-4-carbonitrile; 4-Cyano-3-(trimethylsilyl)pyridine; 4-氰基-3-(三甲基甲硅烷基)吡啶

Database IDs

• CAS Number: 17379-38-3
• MDL Number: MFCD08729284
• PubChem SID: 162036893
• PubChem CID: 12180885

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1342902
• LogD (pH = 7.4): 2.1343
• Log P: 2.1343
• Molar Refractivity: 45.6863 cm^3
• Polarizability: 19.716633 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%