| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:50 UTC |
|---|
| Update Date | 2025-03-25 00:46:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155441 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9IN2O |
|---|
| Molecular Mass | 263.976 |
|---|
| SMILES | Cc1ncc(CN)c(I)c1O |
|---|
| InChI Key | NDKCQDNDUZUAOZ-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-halopyridinesaryl iodidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganohalogen compoundorganoiodidearyl halideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminearyl iodide2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
