ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate

C15H12ClN3O2 — CID 134551584

IUPACethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)c1cc(Cl)nn2cc(-c3ccccc3)nc12
InChIInChI=1S/C15H12ClN3O2/c1-2-21-15(20)11-8-13(16)18-19-9-12(17-14(11)19)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyQPRMMWVKGFFOGG-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.23
Rot. Bonds3

About ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate

ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate (PubChem CID 134551584) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
PubChem CID134551584
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Nameethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)c1cc(Cl)nn2cc(-c3ccccc3)nc12
InChIInChI=1S/C15H12ClN3O2/c1-2-21-15(20)11-8-13(16)18-19-9-12(17-14(11)19)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyQPRMMWVKGFFOGG-UHFFFAOYSA-N
XLogP3.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate;ethyl 2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 161371003
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide
CID 172825282
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
[2-(diethylamino)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509351
ethyl 1-benzyl-3-(4-phenyltriazol-1-yl)pyrazole-4-carboxylate
CID 170459276
ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 9467715
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 36995520
ethyl 2-phenylpyrazolo[1,5-a]pyridine-5-carboxylate
CID 46223052

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate?
The IUPAC name of ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate (CID 134551584) is ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate?
The canonical SMILES for ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate is CCOC(=O)c1cc(Cl)nn2cc(-c3ccccc3)nc12.
What is the InChIKey of ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate?
The InChIKey is QPRMMWVKGFFOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-2-21-15(20)11-8-13(16)18-19-9-12(17-14(11)19)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate?
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate has a molecular weight of 301.73 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate is sourced from PubChem (CID 134551584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).