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3724-16-1 molecular structure
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2-(pyridin-3-yl)acetamide

ChemBase ID: 296066
Molecular Formular: C7H8N2O
Molecular Mass: 136.15122
Monoisotopic Mass: 136.06366289
SMILES and InChIs

SMILES:
c1cc(cnc1)CC(=O)N
Canonical SMILES:
NC(=O)Cc1cccnc1
InChI:
InChI=1S/C7H8N2O/c8-7(10)4-6-2-1-3-9-5-6/h1-3,5H,4H2,(H2,8,10)
InChIKey:
YDHIMEXEGOCNHU-UHFFFAOYSA-N

Cite this record

CBID:296066 http://www.chembase.cn/molecule-296066.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-3-yl)acetamide
IUPAC Traditional name
3-pyridine acetamide
Synonyms
2-(3-Pyridyl)acetamide
3-Pyridineacetamide
2-(Pyridin-3-yl)acetaMide
吡啶-3-乙酰胺
CAS Number
3724-16-1
MDL Number
MFCD08236789
PubChem SID
180681597
PubChem CID
564767

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 564767 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.667848  H Acceptors
H Donor LogD (pH = 5.5) -0.49467197 
LogD (pH = 7.4) -0.41476807  Log P -0.41362095 
Molar Refractivity 37.0309 cm3 Polarizability 14.320355 Å3
Polar Surface Area 55.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
122-124°C expand Show data source
Density
1.17 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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