| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:29 UTC |
|---|
| Update Date | 2025-03-21 18:00:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030099 |
|---|
| Frequency | 123.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8N2O2 |
|---|
| Molecular Mass | 164.0586 |
|---|
| SMILES | Cc1ncc(CO)c(C#N)c1O |
|---|
| InChI Key | PXGIQOJNOVZKOF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | halopyridines |
|---|
| Direct Parent | polyhalopyridines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnitrilesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aromatic alcoholalcoholnitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrileorganooxygen compound |
|---|
