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

• ChemBase ID: 813972
• Molecular Formular: C11H13NOSi
• Molecular Mass: 203.31252
• Monoisotopic Mass: 203.07664057
• SMILES: c1(ccnc(c1)C=O)C#C[Si](C)(C)C
• Canonical SMILES: O=Cc1nccc(c1)C#C[Si](C)(C)C
• InChI: InChI=1S/C11H13NOSi/c1-14(2,3)7-5-10-4-6-12-11(8-10)9-13/h4,6,8-9H,1-3H3
• InChIKey: PJLCAUMWHPXSEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196151-87-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1649644
• LogD (pH = 7.4): 3.1671717
• Log P: 3.1672
• Molar Refractivity: 50.3365 cm^3
• Polarizability: 22.359644 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%