methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate

C9H7ClN2O2 — CID 175697846

IUPACmethyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cccnn12
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)8-5-6(10)7-3-2-4-11-12(7)8/h2-5H,1H3
InChIKeyRSTIDIPWSBYWMW-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.77
Rot. Bonds1

About methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate

methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate (PubChem CID 175697846) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate
PubChem CID175697846
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Namemethyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cccnn12
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)8-5-6(10)7-3-2-4-11-12(7)8/h2-5H,1H3
InChIKeyRSTIDIPWSBYWMW-UHFFFAOYSA-N
XLogP1.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl pyrrolo[1,2-b]pyridazine-7-carboxylate
CID 83381157
dimethyl 7-(4-chlorobenzoyl)pyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 3462018
ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate
CID 121224109
methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822346
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691
methyl 4-[2-(2-bromoethoxy)-5-chlorophenyl]pyrrolo[1,2-b]pyridazine-7-carboxylate
CID 171568680
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217
methyl 3-chloro-1,8-naphthyridine-2-carboxylate
CID 174912004
methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916278
dimethyl pyrazolo[1,5-a]pyrimidine-5,7-dicarboxylate;methane;methyl 7-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 158473485
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
methyl 3-chloroindolizine-1-carboxylate
CID 102287159

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate (CID 175697846) is methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate is COC(=O)c1cc(Cl)c2cccnn12.
What is the InChIKey of methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is RSTIDIPWSBYWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-9(13)8-5-6(10)7-3-2-4-11-12(7)8/h2-5H,1H3.
What are the key properties of methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate?
methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 210.62 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 175697846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).