N-{2-chloro-6-[2-(trimethylsilyl)ethynyl]pyridin-3-yl}-2,2-dimethylpropanamide

• ChemBase ID: 32980
• Molecular Formular: C15H21ClN2OSi
• Molecular Mass: 308.87854
• Monoisotopic Mass: 308.11116751
• SMILES: c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)C#C[Si](C)(C)C
• Canonical SMILES: Clc1nc(ccc1NC(=O)C(C)(C)C)C#C[Si](C)(C)C
• InChI: InChI=1S/C15H21ClN2OSi/c1-15(2,3)14(19)18-12-8-7-11(17-13(12)16)9-10-20(4,5)6/h7-8H,1-6H3,(H,18,19)
• InChIKey: LAEHODITYKHIBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-chloro-6-[2-(trimethylsilyl)ethynyl]pyridin-3-yl}-2,2-dimethylpropanamide
• IUPAC Traditional name: N-{2-chloro-6-[2-(trimethylsilyl)ethynyl]pyridin-3-yl}-2,2-dimethylpropanamide
• Synonyms: N-(2-Chloro-6-((trimethylsilyl)ethynyl)pyridin-3-yl)pivalamide; N-(2-Chloro-6-((trimethylsilyl)ethynyl)pyridin-3-yl)pivalamide

Database IDs

• CAS Number: 1142191-97-6
• MDL Number: MFCD11857726
• PubChem SID: 160996287
• PubChem CID: 46736850

CALCULATED PROPERTIES

• Acid pKa: 11.852786
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.2028995
• LogD (pH = 7.4): 5.202885
• Log P: 5.2029
• Molar Refractivity: 78.1972 cm^3
• Polarizability: 32.820843 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C15H21ClN2OSi

DETAILS

Sigma Aldrich - ADE000590

Other Notes
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