ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate

C10H9ClN2O2 — CID 67965620

IUPACethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnn2cccc2c1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-6-12-13-5-3-4-8(13)9(7)11/h3-6H,2H2,1H3
InChIKeyUTXYKDLFJFGLBQ-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.16
Rot. Bonds2

About ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate

ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate (PubChem CID 67965620) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate
PubChem CID67965620
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Nameethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnn2cccc2c1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-6-12-13-5-3-4-8(13)9(7)11/h3-6H,2H2,1H3
InChIKeyUTXYKDLFJFGLBQ-UHFFFAOYSA-N
XLogP2.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate (CID 67965620) is ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1cnn2cccc2c1Cl.
What is the InChIKey of ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is UTXYKDLFJFGLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-6-12-13-5-3-4-8(13)9(7)11/h3-6H,2H2,1H3.
What are the key properties of ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate?
ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 67965620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).