5-[2-(trimethylsilyl)ethynyl]pyridine-2-carbaldehyde

• ChemBase ID: 813958
• Molecular Formular: C11H13NOSi
• Molecular Mass: 203.31252
• Monoisotopic Mass: 203.07664057
• SMILES: c1c(cnc(c1)C=O)C#C[Si](C)(C)C
• Canonical SMILES: O=Cc1ccc(cn1)C#C[Si](C)(C)C
• InChI: InChI=1S/C11H13NOSi/c1-14(2,3)7-6-10-4-5-11(9-13)12-8-10/h4-5,8-9H,1-3H3
• InChIKey: JCQNKUBVOFBAJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(trimethylsilyl)ethynyl]pyridine-2-carbaldehyde
• IUPAC Traditional name: 5-[2-(trimethylsilyl)ethynyl]pyridine-2-carbaldehyde
• Synonyms: 5-((trimethylsilyl)ethynyl)picolinaldehyde

Database IDs

• CAS Number: 650606-63-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1667595
• LogD (pH = 7.4): 3.1671944
• Log P: 3.1672
• Molar Refractivity: 50.3365 cm^3
• Polarizability: 22.361855 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%