| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:42 UTC |
|---|
| Update Date | 2025-03-21 18:33:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097318 |
|---|
| Frequency | 28.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H4F3NO |
|---|
| Molecular Mass | 163.0245 |
|---|
| SMILES | Oc1ccc(C(F)(F)F)cn1 |
|---|
| InChI Key | BYRJSCNPUHYZQE-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-halopyridinesalkyl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aromatic heteromonocyclic compoundazacyclepolyhalopyridinealkyl fluorideorganofluorideheteroaromatic compoundhydroxypyridineorganohalogen compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
