| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:36 UTC |
|---|
| Update Date | 2025-03-25 00:49:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177618 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H6N2 |
|---|
| Molecular Mass | 154.0531 |
|---|
| SMILES | N#Cc1cc2ccccc2cn1 |
|---|
| InChI Key | GXXBVBVNGMCFIU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoquinolines and derivatives |
|---|
| Subclass | isoquinolines and derivatives |
|---|
| Direct Parent | isoquinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
|---|
| Substituents | nitrileazacyclepolyhalopyridineheteroaromatic compoundpyridinearomatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundcarbonitrile |
|---|
