| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:49 UTC |
|---|
| Update Date | 2025-03-25 00:46:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153047 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H9ClN2O2 |
|---|
| Molecular Mass | 248.0353 |
|---|
| SMILES | NC(=O)c1cc(Oc2ccc(Cl)cc2)ccn1 |
|---|
| InChI Key | JDTIMCJRLFHEGV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | ethers |
|---|
| Direct Parent | diarylethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesaryl chloridesazacyclic compoundscarboxylic acids and derivativeschlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspolyhalopyridinesprimary carboxylic acid amidespyridinecarboxylic acids and derivatives |
|---|
| Substituents | primary carboxylic acid amidediaryl etherpyridine carboxylic acid or derivativesphenol ethermonocyclic benzene moietyaromatic heteromonocyclic compoundpolyhalopyridineorganochloridecarboxylic acid derivativeorganohalogen compound2-heteroaryl carboxamideorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundaryl chloridechlorobenzeneazacycleheteroaromatic compoundcarboxamide grouparyl halidepyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compound |
|---|
