ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate

C10H12ClN3O2 — CID 141039523

IUPACethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)C1(C)CN=C2C=CC(Cl)=NN21
InChIInChI=1S/C10H12ClN3O2/c1-3-16-9(15)10(2)6-12-8-5-4-7(11)13-14(8)10/h4-5H,3,6H2,1-2H3
InChIKeyPLBYEWKUZRVLGK-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.14
Rot. Bonds2

About ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate

ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 141039523) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID141039523
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Nameethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)C1(C)CN=C2C=CC(Cl)=NN21
InChIInChI=1S/C10H12ClN3O2/c1-3-16-9(15)10(2)6-12-8-5-4-7(11)13-14(8)10/h4-5H,3,6H2,1-2H3
InChIKeyPLBYEWKUZRVLGK-UHFFFAOYSA-N
XLogP1.14
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate (CID 141039523) is ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)C1(C)CN=C2C=CC(Cl)=NN21.
What is the InChIKey of ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is PLBYEWKUZRVLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-3-16-9(15)10(2)6-12-8-5-4-7(11)13-14(8)10/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate?
ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 241.68 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-3-methyl-2H-imidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 141039523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).