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1142191-74-9 molecular structure
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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 and InChIs

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

Cite this record

CBID:32960 http://www.chembase.cn/molecule-32960.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
1142191-74-9
MDL Number
MFCD11857707
PubChem SID
160996267
PubChem CID
46736831

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46736831 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.635354  H Acceptors
H Donor LogD (pH = 5.5) 5.087792 
LogD (pH = 7.4) 5.087775  Log P 5.0878 
Molar Refractivity 74.7097 cm3 Polarizability 30.242006 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C13H21ClN2OSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000568 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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