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5221-37-4 molecular structure
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2-chloro-N-(pyridin-2-yl)acetamide

ChemBase ID: 14305
Molecular Formular: C7H7ClN2O
Molecular Mass: 170.59628
Monoisotopic Mass: 170.02469053
SMILES and InChIs

SMILES:
c1(NC(=O)CCl)ccccn1
Canonical SMILES:
ClCC(=O)Nc1ccccn1
InChI:
InChI=1S/C7H7ClN2O/c8-5-7(11)10-6-3-1-2-4-9-6/h1-4H,5H2,(H,9,10,11)
InChIKey:
JJMRJPAPJCFDAM-UHFFFAOYSA-N

Cite this record

CBID:14305 http://www.chembase.cn/molecule-14305.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(pyridin-2-yl)acetamide
IUPAC Traditional name
2-chloro-N-(pyridin-2-yl)acetamide
Synonyms
2-Chloro-N-pyridin-2-yl-acetamide
2-Chloro-N-pyridin-2-ylacetaMide
CAS Number
5221-37-4
MDL Number
MFCD00023426
PubChem SID
160977612
PubChem CID
289435

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 289435 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.828057  H Acceptors
H Donor LogD (pH = 5.5) 1.1114126 
LogD (pH = 7.4) 1.1248941  Log P 1.1250851 
Molar Refractivity 43.8308 cm3 Polarizability 16.185558 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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