ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate

C15H11Cl2N3O3 — CID 162494484

IUPACethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1c[nH]n2cc(-c3cc(Cl)cc(Cl)c3)nc2c1=O
InChIInChI=1S/C15H11Cl2N3O3/c1-2-23-15(22)11-6-18-20-7-12(19-14(20)13(11)21)8-3-9(16)5-10(17)4-8/h3-7,18H,2H2,1H3
InChIKeyYBLWYHZVIVBAOZ-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.17
Rot. Bonds3

About ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate

ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494484) has the molecular formula C15H11Cl2N3O3 and a molecular weight of 352.18 g/mol. Its IUPAC name is ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494484
Molecular FormulaC15H11Cl2N3O3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC Nameethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1c[nH]n2cc(-c3cc(Cl)cc(Cl)c3)nc2c1=O
InChIInChI=1S/C15H11Cl2N3O3/c1-2-23-15(22)11-6-18-20-7-12(19-14(20)13(11)21)8-3-9(16)5-10(17)4-8/h3-7,18H,2H2,1H3
InChIKeyYBLWYHZVIVBAOZ-UHFFFAOYSA-N
XLogP3.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 163938511
ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 162494493
(3,5-dichlorophenyl)boronic acid;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 163743315
ethyl 8-methoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-oxo-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 163752253
ethyl 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 90110858
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 134551584
ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate
CID 82590214
ethyl 5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 75176283
ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107918029
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808
ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate
CID 116532839
ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
CID 121205199

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate (CID 162494484) is ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1c[nH]n2cc(-c3cc(Cl)cc(Cl)c3)nc2c1=O.
What is the InChIKey of ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is YBLWYHZVIVBAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3/c1-2-23-15(22)11-6-18-20-7-12(19-14(20)13(11)21)8-3-9(16)5-10(17)4-8/h3-7,18H,2H2,1H3.
What are the key properties of ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 352.18 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).