10967/72 - QDB Compounds

QsarDB Repository

Seward, J.R.; Cronin, M.T.D.; Schultz, T.W. Structure-Toxicity Analyses of Tetrahymena Pyriformis Exposed to Pyridines - An Examination Into Extension of Surface-Response Domains. SAR QSAR Environ. Res. 2001, 11, 5, 489–512.

112 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

IDNamepIGC50Details
12-Hydroxy-6-methylpyridine-1.35View
22,4-Dihydroxypyridine-1.46View
32-Ethylpyridine-0.87View
45-Chloro-2-pyridinol-0.75View
53-Cyano-4,6-dimethyl-2-hydroxypyridine-0.70View
65-Hydroxy-2-methylpyridine-0.88View
76-Chloro-2-picoline-0.48View
83-Methylpyridine-0.99View
92,4-Lutidine-0.65View
102-Chloropyridine-0.84View
112-Methylpyridine-1.01View
122-Fluoropyridine-1.20View
132-(Dimethylaminomethyl)-3-hydroxypyridine-1.26View
144-ChloropyridineHCl-0.86View
153-Chloropyridine-0.81View
165-Ethyl-2-methylpyridine-0.18View
174-Methylpyridine-0.88View
182-Dimethylaminopyridine-0.55View
19Pyridine-1.27View
204-Ethylpyridine-0.46View
213,4-Lutidine-0.50View
222-Phenylpyridine0.27View
233-Bromopyridine-0.49View
242-Hydroxy-4-methyl-3-nitropyridine-0.68View
252,3,5,6-Tetrachloro-4-pyridinethiol1.37View
264-(tert)Butylpyridine0.20View
272-Benzylpyridine0.38View
284-Dimethylaminopyridine-0.63View
292-Bromopyridine-0.54View
304-Benzoylpyridine-0.09View
312-Pyridinemethanol-1.51View
323,5-Dibromopyridine0.32View
333-Pyridinemethanol-1.51View
34Methylisonicotinate-0.81View
353,5-Diacetyl-2,6-dimethylpyridine-0.54View
364-BromopyridineHCl-0.31View
373-Phenylpyridine0.47View
384-Pyridinemethanol-1.33View
394-Bromophenyl-3-pyridyl-ketone0.82View
402,6-Dibromopyridine0.25View
413-Benzylpyridine0.68View
422-Benzylamino-4-methylpyridine0.95View
432,3-Dihydroxypyridine-0.34View
444-Benzylpyridine0.65View
454-Phenylpyridine0.66View
464-Acetylpyridine-0.87View
471,2-Bis(4-pyridyl)ethane-0.03View
485-Chloro-3-pyridinol0.10View
492-Amino-4,6-dimethylpyridine-0.22View
502-Hydroxypyridine-1.61View
512-Cyanopyridine-0.83View
522-Hydroxy-4-methyl-5-nitropyridine-0.17View
534-Cyanopyridine-0.82View
542-Methoxy-5-nitropyridine-0.01View
552-Amino-3-picoline-0.57View
564-Pyridinealdoxime-0.55View
572-Bromo-3-pyridinol0.00View
582-Chloro-3-pyridinol-0.04View
59Diethyl-3,4-pyridine-dicarboxylate-0.13View
603-Cyanopyridine-0.75View
613-Hydroxypyridine-0.66View
624-Amino-3,5-dichloro-2,6-difluoropyridine0.60View
636-Chloro-2-pyridinol-0.29View
642-Aminopyridine-0.61View
654-Carboxylpyridine-1.38View
66Pentachloropyridine1.68View
672-Amino-5-chloropyridine-0.03View
683-Carboxylpyridine-1.36View
692-Chloro-4-methyl-5-nitropyridine0.41View
70Isonicotinamide-1.02View
712-(Benzylthio)-3-nitropyridine1.72View
722-Amino-3,5-dibromopyridine0.85View
732-Chloro-4-methyl-3-nitropyridine0.29View
742-Vinylpyridine0.24View
754-Aminopyridine-0.44View
762-Amino-3-hydroxypyridine0.05View
773-Hydroxy-6-methyl-2-nitropyridine0.39View
785-Amino-2-chloropyridine0.17View
792-Amino-3-nitropyridine-0.01View
804-Hydroxypyridine-1.59View
812,6-Diaminopyridine-0.59View
823-Pyridinecarboxaldehyde-0.15View
833-Aminopyridine-0.48View
844-Pyridinecarboxaldehyde-0.21View
852-Amino-5-bromopyridine0.49View
862-Carboxylpyridine0.07View
872-Amino-4-methyl-3-nitropyridine0.50View
88Pentafluoropyridine0.70View
892-Amino-5-nitropyridine0.22View
902-Amino-4-methyl-5-nitropyridine0.37View
912,3-Diaminopyridine-0.11View
922-Amino-3,5-dichloropyridine1.46View
934-Vinylpyridine1.07View
942-Chloro-3-nitropyridine0.87View
952-Bromo-5-nitropyridine1.07View
964-Nitropyridine0.41View
973-Hydroxy-2-nitropyridine0.87View
982,6-Dichloro-3-nitropyridine2.03View
992-Chloro-3,5-dinitropyridine2.64View
1002,6-DiphenylpyridineNTASView
1012-Amino-5-bromo-3-nitropyridineNTASView
1022,6-Dihydroxy-4-methyl-3-pyridinecarbonitrileNTASView
103Ethyl-2-pyridylacetate-0.92View
1043-(3-Pyridyl)-1-propanol-0.84View
1052-(2-Aminoethyl)pyridine-0.74View
1063-Amino-2-chloropyridine-0.71View
1072-Pyridinecarboxaldehyde-0.14View
1084,4'-Dipyridyl0.21View
1092,3,5-Trichloropyridine0.34View
1105-Chloro-2,3-pyridinediol0.57View
1112-Chloro-5-nitropyridine0.80View
1122-Chloro-6-methoxy-3-nitropyridine1.36View

Bibliography

  1. Seward, J. R.; Cronin, M. T. D.; Schultz, T. W. Structure-Toxicity Analyses of Tetrahymena Pyriformis Exposed to Pyridines - An Examination Into Extension of Surface-Response Domains. SAR QSAR Environ. Res. 2001, 11, 489–512. http://dx.doi.org/10.1080/10629360108035365

  2. Schultz, T. W.; Moulton, B. A. Structure-activity relationships for nitrogen-containing aromatic molecules. Environ. Toxicol. Chem. 1985, 4, 353–359. http://dx.doi.org/10.1002/etc.5620040310

  3. Schultz, T. W.; Applehans, F. M. Correlations for the acute toxicity of multiple nitrogen substituted aromatic molecules. Ecotox. Environ. Safe. 1985, 10, 75–85. http://dx.doi.org/10.1016/0147-6513(85)90009-0

  4. Schultz, T. W.; Dawson, D. A.; Lin, D. T. Comparative toxicity of selected nitrogen-containing aromatic compounds in the Tetrahymena pyriformis and Pimephales promelas test systems. Chemosphere 1989, 18, 2283–2291.

  5. Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. http://dx.doi.org/10.1080/105172397243079