ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate

C16H14ClN3O3 — CID 134551639

IUPACethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)c1cc(Cl)nn2cc(-c3ccccc3OC)nc12
InChIInChI=1S/C16H14ClN3O3/c1-3-23-16(21)11-8-14(17)19-20-9-12(18-15(11)20)10-6-4-5-7-13(10)22-2/h4-9H,3H2,1-2H3
InChIKeyXOOSAPNQZWBSGM-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.23
Rot. Bonds4

About ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate

ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate (PubChem CID 134551639) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate
PubChem CID134551639
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Nameethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)c1cc(Cl)nn2cc(-c3ccccc3OC)nc12
InChIInChI=1S/C16H14ClN3O3/c1-3-23-16(21)11-8-14(17)19-20-9-12(18-15(11)20)10-6-4-5-7-13(10)22-2/h4-9H,3H2,1-2H3
InChIKeyXOOSAPNQZWBSGM-UHFFFAOYSA-N
XLogP3.23
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate?
The IUPAC name of ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate (CID 134551639) is ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate?
The canonical SMILES for ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate is CCOC(=O)c1cc(Cl)nn2cc(-c3ccccc3OC)nc12.
What is the InChIKey of ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate?
The InChIKey is XOOSAPNQZWBSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-3-23-16(21)11-8-14(17)19-20-9-12(18-15(11)20)10-6-4-5-7-13(10)22-2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate?
ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate has a molecular weight of 331.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate is sourced from PubChem (CID 134551639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).