| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:18:31 UTC |
|---|
| Update Date | 2025-03-24 20:16:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01391409 |
|---|
| Frequency | 0.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H3N3O |
|---|
| Molecular Mass | 145.0276 |
|---|
| SMILES | N#Cc1nccc(O)c1C#N |
|---|
| InChI Key | YXRDXOSBCAZXEP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | 3-pyridinecarbonitriles |
|---|
| Direct Parent | 3-pyridinecarbonitriles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | nitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine3-pyridinecarbonitrileorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrileorganooxygen compound |
|---|
