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

C15H10BrCl2N3O2 — CID 162494395

IUPACethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2cc(-c3cc(Cl)cc(Cl)c3)nc2c1Br
InChIInChI=1S/C15H10BrCl2N3O2/c1-2-23-15(22)11-6-19-21-7-12(20-14(21)13(11)16)8-3-9(17)5-10(18)4-8/h3-7H,2H2,1H3
InChIKeyZPNJKNQZHQXRMW-UHFFFAOYSA-N
MW415.07 g/mol
LogP4.64
Rot. Bonds3

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

ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494395) has the molecular formula C15H10BrCl2N3O2 and a molecular weight of 415.07 g/mol. Its IUPAC name is ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494395
Molecular FormulaC15H10BrCl2N3O2
Molecular Weight415.07 g/mol
Exact Mass412.93
IUPAC Nameethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2cc(-c3cc(Cl)cc(Cl)c3)nc2c1Br
InChIInChI=1S/C15H10BrCl2N3O2/c1-2-23-15(22)11-6-19-21-7-12(20-14(21)13(11)16)8-3-9(17)5-10(18)4-8/h3-7H,2H2,1H3
InChIKeyZPNJKNQZHQXRMW-UHFFFAOYSA-N
XLogP4.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.07
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate (CID 162494395) is ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1cnn2cc(-c3cc(Cl)cc(Cl)c3)nc2c1Br.
What is the InChIKey of ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is ZPNJKNQZHQXRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3O2/c1-2-23-15(22)11-6-19-21-7-12(20-14(21)13(11)16)8-3-9(17)5-10(18)4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 415.07 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).