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1150566-27-0 molecular structure
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ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate

ChemBase ID: 289166
Molecular Formular: C9H8ClN3O2
Molecular Mass: 225.63172
Monoisotopic Mass: 225.03050419
SMILES and InChIs

SMILES:
O=C(c1cnc2ccc(Cl)nn12)OCC
Canonical SMILES:
CCOC(=O)c1cnc2n1nc(Cl)cc2
InChI:
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-8-4-3-7(10)12-13(6)8/h3-5H,2H2,1H3
InChIKey:
AVYSSBABIUPEMY-UHFFFAOYSA-N

Cite this record

CBID:289166 http://www.chembase.cn/molecule-289166.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
IUPAC Traditional name
ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
Synonyms
Ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
CAS Number
1150566-27-0
PubChem SID
180674697
PubChem CID
56766637

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD216870 Please log in.
Data Source Data ID
PubChem 56766637 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7574534  LogD (pH = 7.4) 1.7574801 
Log P 1.7574805  Molar Refractivity 66.2911 cm3
Polarizability 20.720396 Å3 Polar Surface Area 56.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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