N-(6-{[(tert-butyldimethylsilyl)oxy]methyl}-2-chloropyridin-3-yl)-2,2-dimethylpropanamide

• ChemBase ID: 32977
• Molecular Formular: C17H29ClN2O2Si
• Molecular Mass: 356.96286
• Monoisotopic Mass: 356.16868239
• SMILES: c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)CO[Si](C(C)(C)C)(C)C
• Canonical SMILES: Clc1nc(ccc1NC(=O)C(C)(C)C)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C17H29ClN2O2Si/c1-16(2,3)15(21)20-13-10-9-12(19-14(13)18)11-22-23(7,8)17(4,5)6/h9-10H,11H2,1-8H3,(H,20,21)
• InChIKey: VTWZFDHXSNZFHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-{[(tert-butyldimethylsilyl)oxy]methyl}-2-chloropyridin-3-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(6-{[(tert-butyldimethylsilyl)oxy]methyl}-2-chloropyridin-3-yl)-2,2-dimethylpropanamide
• Synonyms: N-(6-((tert-Butyldimethylsilyloxy)methyl)-2-chloropyridin-3-yl)pivalamide; N-(6-((tert-Butyldimethylsilyloxy)methyl)-2-chloropyridin-3-yl)pivalamide

Database IDs

• CAS Number: 1142191-94-3
• MDL Number: MFCD11857723
• PubChem SID: 160996284
• PubChem CID: 46736847

CALCULATED PROPERTIES

• Acid pKa: 11.624764
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.9830995
• LogD (pH = 7.4): 4.9830747
• Log P: 4.9831
• Molar Refractivity: 94.4744 cm^3
• Polarizability: 38.297768 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C17H29ClN2O2Si

DETAILS

Sigma Aldrich - ADE000587

Other Notes
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