| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:42 UTC |
|---|
| Update Date | 2025-03-25 00:57:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02223774 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5ClN2O |
|---|
| Molecular Mass | 156.009 |
|---|
| SMILES | NC(=O)c1cnccc1Cl |
|---|
| InChI Key | MJYMDZGWIIUMJV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesnicotinamidesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidesvinylogous halides |
|---|
| Substituents | aryl chlorideprimary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacycleorganochloridepolyhalopyridinenicotinamideheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganohalogen compoundvinylogous halidearyl halideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
