Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1758 | |
|---|---|---|
| Name: | 2-hydroxy-4,6-dimethylpyridine-3-carbonitrile | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Cyano-4,6-dimethyl-2-hydroxypyridine | |
| Labels: | ||
| CAS: | 769-28-8 | |
| InChi Code: | InChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11) |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.98 |
experimental value |
| 3.1656 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3022118 | US EPA CompTox Dashboard |