methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate

C16H13Cl2N3O3 — CID 162494467

IUPACmethyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOc1c(C(=O)OC)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12
InChIInChI=1S/C16H13Cl2N3O3/c1-3-24-14-12(16(22)23-2)7-20-21-13(8-19-15(14)21)9-4-10(17)6-11(18)5-9/h4-8H,3H2,1-2H3
InChIKeyFTCJSLQPQOIVSL-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.89
Rot. Bonds4

About methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate

methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494467) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494467
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Namemethyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOc1c(C(=O)OC)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12
InChIInChI=1S/C16H13Cl2N3O3/c1-3-24-14-12(16(22)23-2)7-20-21-13(8-19-15(14)21)9-4-10(17)6-11(18)5-9/h4-8H,3H2,1-2H3
InChIKeyFTCJSLQPQOIVSL-UHFFFAOYSA-N
XLogP3.89
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate (CID 162494467) is methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate is CCOc1c(C(=O)OC)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.
What is the InChIKey of methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is FTCJSLQPQOIVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c1-3-24-14-12(16(22)23-2)7-20-21-13(8-19-15(14)21)9-4-10(17)6-11(18)5-9/h4-8H,3H2,1-2H3.
What are the key properties of methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate?
methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 366.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).