4-[2-(trimethylsilyl)ethynyl]pyridine-3-carbaldehyde

• ChemBase ID: 814000
• Molecular Formular: C11H13NOSi
• Molecular Mass: 203.31252
• Monoisotopic Mass: 203.07664057
• SMILES: c1(c(cncc1)C=O)C#C[Si](C)(C)C
• Canonical SMILES: O=Cc1cnccc1C#C[Si](C)(C)C
• InChI: InChI=1S/C11H13NOSi/c1-14(2,3)7-5-10-4-6-12-8-11(10)9-13/h4,6,8-9H,1-3H3
• InChIKey: LMGZKECVVFRLQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(trimethylsilyl)ethynyl]pyridine-3-carbaldehyde
• IUPAC Traditional name: 4-[2-(trimethylsilyl)ethynyl]pyridine-3-carbaldehyde
• Synonyms: 4-((trimethylsilyl)ethynyl)nicotinaldehyde

Database IDs

• CAS Number: 222167-81-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4004982
• LogD (pH = 7.4): 2.4092865
• Log P: 2.4094
• Molar Refractivity: 50.7217 cm^3
• Polarizability: 22.356411 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%