| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:44 UTC |
|---|
| Update Date | 2025-03-25 00:52:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02193742 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H17FN2O |
|---|
| Molecular Mass | 272.1325 |
|---|
| SMILES | CN(C)CC1(c2ccc(F)cc2)OCc2cccnc21 |
|---|
| InChI Key | YHBMDSIZJBINCF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | halopyridines |
|---|
| Direct Parent | polyhalopyridines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaryl fluoridesazacyclic compoundsdialkyl ethersfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietyetherpolyhalopyridineorganohalogen compounddialkyl etherfluorobenzenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinetertiary amineazacycleorganofluorideheteroaromatic compoundtertiary aliphatic aminemethylpyridinearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
|---|
