REPOSITORY ABOUT GUIDELINES CITING BLOG

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)]

ID Name pIGC50 Details
1 2-Hydroxy-6-methylpyridine -1.35 View
2 2,4-Dihydroxypyridine -1.46 View
3 2-Ethylpyridine -0.87 View
4 5-Chloro-2-pyridinol -0.75 View
5 3-Cyano-4,6-dimethyl-2-hydroxypyridine -0.70 View
6 5-Hydroxy-2-methylpyridine -0.88 View
7 6-Chloro-2-picoline -0.48 View
8 3-Methylpyridine -0.99 View
9 2,4-Lutidine -0.65 View
10 2-Chloropyridine -0.84 View
11 2-Methylpyridine -1.01 View
12 2-Fluoropyridine -1.20 View
13 2-(Dimethylaminomethyl)-3-hydroxypyridine -1.26 View
14 4-ChloropyridineHCl -0.86 View
15 3-Chloropyridine -0.81 View
16 5-Ethyl-2-methylpyridine -0.18 View
17 4-Methylpyridine -0.88 View
18 2-Dimethylaminopyridine -0.55 View
19 Pyridine -1.27 View
20 4-Ethylpyridine -0.46 View
21 3,4-Lutidine -0.50 View
22 2-Phenylpyridine 0.27 View
23 3-Bromopyridine -0.49 View
24 2-Hydroxy-4-methyl-3-nitropyridine -0.68 View
25 2,3,5,6-Tetrachloro-4-pyridinethiol 1.37 View
26 4-(tert)Butylpyridine 0.20 View
27 2-Benzylpyridine 0.38 View
28 4-Dimethylaminopyridine -0.63 View
29 2-Bromopyridine -0.54 View
30 4-Benzoylpyridine -0.09 View
31 2-Pyridinemethanol -1.51 View
32 3,5-Dibromopyridine 0.32 View
33 3-Pyridinemethanol -1.51 View
34 Methylisonicotinate -0.81 View
35 3,5-Diacetyl-2,6-dimethylpyridine -0.54 View
36 4-BromopyridineHCl -0.31 View
37 3-Phenylpyridine 0.47 View
38 4-Pyridinemethanol -1.33 View
39 4-Bromophenyl-3-pyridyl-ketone 0.82 View
40 2,6-Dibromopyridine 0.25 View
41 3-Benzylpyridine 0.68 View
42 2-Benzylamino-4-methylpyridine 0.95 View
43 2,3-Dihydroxypyridine -0.34 View
44 4-Benzylpyridine 0.65 View
45 4-Phenylpyridine 0.66 View
46 4-Acetylpyridine -0.87 View
47 1,2-Bis(4-pyridyl)ethane -0.03 View
48 5-Chloro-3-pyridinol 0.10 View
49 2-Amino-4,6-dimethylpyridine -0.22 View
50 2-Hydroxypyridine -1.61 View
51 2-Cyanopyridine -0.83 View
52 2-Hydroxy-4-methyl-5-nitropyridine -0.17 View
53 4-Cyanopyridine -0.82 View
54 2-Methoxy-5-nitropyridine -0.01 View
55 2-Amino-3-picoline -0.57 View
56 4-Pyridinealdoxime -0.55 View
57 2-Bromo-3-pyridinol 0.00 View
58 2-Chloro-3-pyridinol -0.04 View
59 Diethyl-3,4-pyridine-dicarboxylate -0.13 View
60 3-Cyanopyridine -0.75 View
61 3-Hydroxypyridine -0.66 View
62 4-Amino-3,5-dichloro-2,6-difluoropyridine 0.60 View
63 6-Chloro-2-pyridinol -0.29 View
64 2-Aminopyridine -0.61 View
65 4-Carboxylpyridine -1.38 View
66 Pentachloropyridine 1.68 View
67 2-Amino-5-chloropyridine -0.03 View
68 3-Carboxylpyridine -1.36 View
69 2-Chloro-4-methyl-5-nitropyridine 0.41 View
70 Isonicotinamide -1.02 View
71 2-(Benzylthio)-3-nitropyridine 1.72 View
72 2-Amino-3,5-dibromopyridine 0.85 View
73 2-Chloro-4-methyl-3-nitropyridine 0.29 View
74 2-Vinylpyridine 0.24 View
75 4-Aminopyridine -0.44 View
76 2-Amino-3-hydroxypyridine 0.05 View
77 3-Hydroxy-6-methyl-2-nitropyridine 0.39 View
78 5-Amino-2-chloropyridine 0.17 View
79 2-Amino-3-nitropyridine -0.01 View
80 4-Hydroxypyridine -1.59 View
81 2,6-Diaminopyridine -0.59 View
82 3-Pyridinecarboxaldehyde -0.15 View
83 3-Aminopyridine -0.48 View
84 4-Pyridinecarboxaldehyde -0.21 View
85 2-Amino-5-bromopyridine 0.49 View
86 2-Carboxylpyridine 0.07 View
87 2-Amino-4-methyl-3-nitropyridine 0.50 View
88 Pentafluoropyridine 0.70 View
89 2-Amino-5-nitropyridine 0.22 View
90 2-Amino-4-methyl-5-nitropyridine 0.37 View
91 2,3-Diaminopyridine -0.11 View
92 2-Amino-3,5-dichloropyridine 1.46 View
93 4-Vinylpyridine 1.07 View
94 2-Chloro-3-nitropyridine 0.87 View
95 2-Bromo-5-nitropyridine 1.07 View
96 4-Nitropyridine 0.41 View
97 3-Hydroxy-2-nitropyridine 0.87 View
98 2,6-Dichloro-3-nitropyridine 2.03 View
99 2-Chloro-3,5-dinitropyridine 2.64 View
100 2,6-Diphenylpyridine NTAS View
101 2-Amino-5-bromo-3-nitropyridine NTAS View
102 2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile NTAS View
103 Ethyl-2-pyridylacetate -0.92 View
104 3-(3-Pyridyl)-1-propanol -0.84 View
105 2-(2-Aminoethyl)pyridine -0.74 View
106 3-Amino-2-chloropyridine -0.71 View
107 2-Pyridinecarboxaldehyde -0.14 View
108 4,4'-Dipyridyl 0.21 View
109 2,3,5-Trichloropyridine 0.34 View
110 5-Chloro-2,3-pyridinediol 0.57 View
111 2-Chloro-5-nitropyridine 0.80 View
112 2-Chloro-6-methoxy-3-nitropyridine 1.36 View

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