N-{4-hydroxy-5-[2-(trimethylsilyl)ethynyl]pyridin-3-yl}acetamide

• ChemBase ID: 50536
• Molecular Formular: C12H16N2O2Si
• Molecular Mass: 248.35314
• Monoisotopic Mass: 248.09810429
• SMILES: c1(cncc(c1O)NC(=O)C)C#C[Si](C)(C)C
• Canonical SMILES: CC(=O)Nc1cncc(c1O)C#C[Si](C)(C)C
• InChI: InChI=1S/C12H16N2O2Si/c1-9(15)14-11-8-13-7-10(12(11)16)5-6-17(2,3)4/h7-8H,1-4H3,(H,13,16)(H,14,15)
• InChIKey: WIFGXFSIJSLBTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-hydroxy-5-[2-(trimethylsilyl)ethynyl]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-{4-hydroxy-5-[2-(trimethylsilyl)ethynyl]pyridin-3-yl}acetamide
• Synonyms: N-(4-Hydroxy-5-((trimethylsilyl)ethynyl)pyridin-3-yl)acetamide; N-(4-Hydroxy-5-((trimethylsilyl)ethynyl)-pyridin-3-yl)acetamide; N-(4-Hydroxy-5-((trimethylsilyl)ethynyl)pyridin-3-yl)acetamide

Database IDs

• CAS Number: 1203499-31-3
• MDL Number: MFCD13176635
• PubChem SID: 162055299
• PubChem CID: 46318093

CALCULATED PROPERTIES

• Acid pKa: 9.062194
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7747345
• LogD (pH = 7.4): 1.7660831
• Log P: 1.775
• Molar Refractivity: 60.9816 cm^3
• Polarizability: 25.963776 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H16N2O2Si

DETAILS

Sigma Aldrich - ADE000721

Other Notes
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