6-[2-(trimethylsilyl)ethynyl]pyridine-3-carbaldehyde

• ChemBase ID: 813959
• Molecular Formular: C11H13NOSi
• Molecular Mass: 203.31252
• Monoisotopic Mass: 203.07664057
• SMILES: c1c(cnc(c1)C#C[Si](C)(C)C)C=O
• Canonical SMILES: O=Cc1ccc(nc1)C#C[Si](C)(C)C
• InChI: InChI=1S/C11H13NOSi/c1-14(2,3)7-6-11-5-4-10(9-13)8-12-11/h4-5,8-9H,1-3H3
• InChIKey: HPCCNAPRISABKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(trimethylsilyl)ethynyl]pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-[2-(trimethylsilyl)ethynyl]pyridine-3-carbaldehyde
• Synonyms: 6-((trimethylsilyl)ethynyl)nicotinaldehyde

Database IDs

• CAS Number: 1196156-38-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8080943
• LogD (pH = 7.4): 2.8084948
• Log P: 2.8085
• Molar Refractivity: 50.3497 cm^3
• Polarizability: 22.359873 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%