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90931-33-2 molecular structure
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2-chloro-N-(5-chloropyridin-2-yl)acetamide

ChemBase ID: 26972
Molecular Formular: C7H6Cl2N2O
Molecular Mass: 205.04134
Monoisotopic Mass: 203.98571818
SMILES and InChIs

SMILES:
N(c1ncc(Cl)cc1)C(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1ccc(cn1)Cl
InChI:
InChI=1S/C7H6Cl2N2O/c8-3-7(12)11-6-2-1-5(9)4-10-6/h1-2,4H,3H2,(H,10,11,12)
InChIKey:
FWIPEIVJWOOWGO-UHFFFAOYSA-N

Cite this record

CBID:26972 http://www.chembase.cn/molecule-26972.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(5-chloropyridin-2-yl)acetamide
IUPAC Traditional name
2-chloro-N-(5-chloropyridin-2-yl)acetamide
Synonyms
2-Chloro-N-(5-chloropyridin-2-yl)acetamide
2-chloro-N-(5-chloro-2-pyridinyl)acetamide
CAS Number
90931-33-2
MDL Number
MFCD00297021
PubChem SID
160990279
PubChem CID
5151148

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5151148 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.838363  H Acceptors
H Donor LogD (pH = 5.5) 1.728966 
LogD (pH = 7.4) 1.7291126  Log P 1.7291298 
Molar Refractivity 48.6356 cm3 Polarizability 18.145847 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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