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

C15H10Cl3N3O2 — CID 162494366

IUPACethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1Cl
InChIInChI=1S/C15H10Cl3N3O2/c1-2-23-15(22)11-6-20-21-12(7-19-14(21)13(11)18)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3
InChIKeyUDPUWUGWYNRRGL-UHFFFAOYSA-N
MW370.62 g/mol
LogP4.53
Rot. Bonds3

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

ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494366) has the molecular formula C15H10Cl3N3O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494366
Molecular FormulaC15H10Cl3N3O2
Molecular Weight370.62 g/mol
Exact Mass368.98
IUPAC Nameethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1Cl
InChIInChI=1S/C15H10Cl3N3O2/c1-2-23-15(22)11-6-20-21-12(7-19-14(21)13(11)18)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3
InChIKeyUDPUWUGWYNRRGL-UHFFFAOYSA-N
XLogP4.53
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.62
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate (CID 162494366) is ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1Cl.
What is the InChIKey of ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is UDPUWUGWYNRRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O2/c1-2-23-15(22)11-6-20-21-12(7-19-14(21)13(11)18)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 370.62 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-3-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).