ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate

C10H10ClN3O2 — CID 162494367

IUPACethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2cc(C)nc2c1Cl
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-12-14-5-6(2)13-9(14)8(7)11/h4-5H,3H2,1-2H3
InChIKeyNOGUTQSVXCSNBT-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.87
Rot. Bonds2

About ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate

ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494367) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494367
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Nameethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2cc(C)nc2c1Cl
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-12-14-5-6(2)13-9(14)8(7)11/h4-5H,3H2,1-2H3
InChIKeyNOGUTQSVXCSNBT-UHFFFAOYSA-N
XLogP1.87
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494475
ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494483
ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155425580
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 112706669
ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate
CID 18342946
ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
CID 10264278
ethyl 6-bromo-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate
CID 169163079
ethyl (12R)-12-methyl-10-oxa-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxylate
CID 155425476
ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131526354
ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate
CID 164548277
ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 19839439

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate (CID 162494367) is ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1cnn2cc(C)nc2c1Cl.
What is the InChIKey of ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is NOGUTQSVXCSNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-12-14-5-6(2)13-9(14)8(7)11/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 239.66 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).