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

• ChemBase ID: 32960
• Molecular Formular: C13H21ClN2OSi
• Molecular Mass: 284.85714
• Monoisotopic Mass: 284.11116751
• SMILES: c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)[Si](C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ccc(nc1Cl)[Si](C)(C)C
• InChI: InChI=1S/C13H21ClN2OSi/c1-13(2,3)12(17)15-9-7-8-10(16-11(9)14)18(4,5)6/h7-8H,1-6H3,(H,15,17)
• InChIKey: ZQGZINJHCZYAJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1142191-74-9
• MDL Number: MFCD11857707
• PubChem SID: 160996267
• PubChem CID: 46736831

CALCULATED PROPERTIES

• Acid pKa: 11.635354
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.087792
• LogD (pH = 7.4): 5.087775
• Log P: 5.0878
• Molar Refractivity: 74.7097 cm^3
• Polarizability: 30.242006 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C13H21ClN2OSi

DETAILS

Sigma Aldrich - ADE000568

Other Notes
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