ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate

C9H8ClN3O2 — CID 56766637

IUPACethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Cl)nn12
InChIInChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-8-4-3-7(10)12-13(6)8/h3-5H,2H2,1H3
InChIKeyAVYSSBABIUPEMY-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.56
Rot. Bonds2

About ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate

ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 56766637) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID56766637
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Nameethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Cl)nn12
InChIInChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-8-4-3-7(10)12-13(6)8/h3-5H,2H2,1H3
InChIKeyAVYSSBABIUPEMY-UHFFFAOYSA-N
XLogP1.56
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 6-(1-pyrrolidinyl)imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815677
Ethyl 6-piperidinoimidazo[1,2-b]pyridazine-2-carboxylate
CID 2815688
Ethyl 3-iodoimidazo[1,2-b]pyridazine-2-carboxylate
CID 118863061
Imidazo(1,2-b)pyridazine-2-carboxylic acid, 6-chloro-, ethyl ester
CID 2779714
6-Chloroimidazo[1,2-b]pyridazine-2-carboxylic acid
CID 2794637
Imidazo(1,2-b)pyridazine-2-carboxylic acid
CID 10583132
6-Chloroimidazo[1,2-B]pyridazine-2-carbaldehyde
CID 10856109
6-Chloroimidazo[1,2-b]pyridazine-3-carbaldehyde
CID 11446702
1-(6-Chloroimidazo(1,2-b)pyridazin-3-yl)ethan-1-one
CID 13248805
Imidazo(1,2-b)pyridazine-3-carboxylic acid
CID 22024514
8-Bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid
CID 59313818
Methyl 6-chloroimidazo(1,2-b)pyridazine-3-carboxylate
CID 92135192

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate (CID 56766637) is ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1cnc2ccc(Cl)nn12.
What is the InChIKey of ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is AVYSSBABIUPEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-8-4-3-7(10)12-13(6)8/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate?
ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 225.64 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 56766637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).