| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:26 UTC |
|---|
| Update Date | 2025-03-21 18:38:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00118708 |
|---|
| Frequency | 22.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9N3O |
|---|
| Molecular Mass | 163.0746 |
|---|
| SMILES | Cc1ncc(C#N)c(CN)c1O |
|---|
| InChI Key | ORXUWQZUZVCCHZ-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 derivativeshydroxypyridinesmonoalkylaminesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | nitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine3-pyridinecarbonitrileorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundcarbonitrileorganooxygen compound |
|---|
