Home > Compound List > Compound details
5437-33-2 molecular structure
click picture or here to close

3,5-dichloro-1,2-dihydropyridin-2-one

ChemBase ID: 302080
Molecular Formular: C5H3Cl2NO
Molecular Mass: 163.98942
Monoisotopic Mass: 162.95916908
SMILES and InChIs

SMILES:
c1c(c[nH]c(=O)c1Cl)Cl
Canonical SMILES:
Clc1cc(Cl)c[nH]c1=O
InChI:
InChI=1S/C5H3Cl2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKey:
ZICOPWJJZSJEDL-UHFFFAOYSA-N

Cite this record

CBID:302080 http://www.chembase.cn/molecule-302080.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dichloro-1,2-dihydropyridin-2-one
IUPAC Traditional name
3,5-dichloro-1H-pyridin-2-one
Synonyms
3,5-Dichloro-2-hydroxypyridine
3,5-Dichloro-2-pyridone
3,5-二氯-2-吡啶酮
CAS Number
5437-33-2
EC Number
226-609-3
MDL Number
MFCD00015401
Beilstein Number
1524971

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L08309 external link Add to cart
Data Source Data ID Price
Alfa Aesar
L08309 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.693197  H Acceptors
H Donor LogD (pH = 5.5) 1.1859975 
LogD (pH = 7.4) 1.1671926  Log P 1.186244 
Molar Refractivity 37.5528 cm3 Polarizability 13.765273 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
178-182°C expand Show data source
RTECS
UV1146300 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

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle