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1186310-88-2 molecular structure
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N-[6-iodo-2-(trimethylsilyl)furo[3,2-b]pyridin-7-yl]-2,2-dimethylpropanamide

ChemBase ID: 44975
Molecular Formular: C15H21IN2O2Si
Molecular Mass: 416.32941
Monoisotopic Mass: 416.04170245
SMILES and InChIs

SMILES:
c1(cnc2c(c1NC(=O)C(C)(C)C)oc(c2)[Si](C)(C)C)I
Canonical SMILES:
O=C(C(C)(C)C)Nc1c(I)cnc2c1oc(c2)[Si](C)(C)C
InChI:
InChI=1S/C15H21IN2O2Si/c1-15(2,3)14(19)18-12-9(16)8-17-10-7-11(20-13(10)12)21(4,5)6/h7-8H,1-6H3,(H,17,18,19)
InChIKey:
NQGXPZFYJZPDJR-UHFFFAOYSA-N

Cite this record

CBID:44975 http://www.chembase.cn/molecule-44975.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[6-iodo-2-(trimethylsilyl)furo[3,2-b]pyridin-7-yl]-2,2-dimethylpropanamide
IUPAC Traditional name
N-[6-iodo-2-(trimethylsilyl)furo[3,2-b]pyridin-7-yl]-2,2-dimethylpropanamide
Synonyms
N-(6-Iodo-2-(trimethylsilyl)furo[3,2-b]pyridin-7-yl)pivalamide
N-(6-Iodo-2-(trimethylsilyl)furo[3,2-b]pyridin-7-yl)pivalamide
CAS Number
1186310-88-2
MDL Number
MFCD12922800
PubChem SID
162049738
PubChem CID
46737940

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46737940 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.022101  H Acceptors
H Donor LogD (pH = 5.5) 5.1114225 
LogD (pH = 7.4) 5.111595  Log P 5.1117 
Molar Refractivity 89.615 cm3 Polarizability 37.7561 Å3
Polar Surface Area 55.13 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)
C15H21IN2O2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001180 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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