PYMETROZINE

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UNII F0G3V7874J
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key QHMTXANCGGJZRX-WUXMJOGZSA-N
Smiles CC1=NNC(=O)N(C1)\N=C\c2cccnc2
InChI
InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11N5O
Molecular Weight 217.23
AlogP -0.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 69.95
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0
Assay Description Organism Bioactivity Reference
Ratio of EC50 for Daphnia magna to EC50 for first instar larvae of Cheumatopsyche brevilineata None -0.11
Insecticidal activity against first-instar larvae of Cheumatopsyche brevilineata after 48 hr Cheumatopsyche 112.0 ug.mL-1
Octanol-water partition coefficient, log KOW of the compound None -0.18
Insecticidal activity against Daphnia magna after 48 hr Daphnia magna 87.0 ug.mL-1
Selectivity ratio of LC50 for pymetrozine-selected Bemisia tabaci B2 (sweet potato whitefly) to LC50 for Bemisia tabaci B2 Bemisia tabaci 54.0
Insecticidal activity against pymetrozine-selected Bemisia tabaci B2 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 15000.0 ug.mL-1
Selectivity ratio of LC50 for thiamethoxam-selected Bemisia tabaci B1B3 (sweet potato whitefly) to LC50 for Bemisia tabaci B1B3 Bemisia tabaci 7.9
Insecticidal activity against thiamethoxam-selected Bemisia tabaci B1B3 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 1100.0 ug.mL-1
Insecticidal activity against pymetrozine-selected Bemisia tabaci B1B3 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 3200.0 ug.mL-1
Insecticidal activity against Bemisia tabaci B1B3 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 140.0 ug.mL-1
Resistance ratio of LC50 for Bemisia tabaci biotype-B B4 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS Bemisia tabaci 520.0
Selectivity ratio of LC50 for pymetrozine-selected Bemisia tabaci B1B3 (sweet potato whitefly) to LC50 for Bemisia tabaci B1B3 Bemisia tabaci 23.0
Resistance ratio of LC50 for Bemisia tabaci biotype-B B3 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS Bemisia tabaci 1100.0
Resistance ratio of LC50 for Bemisia tabaci biotype-B B2 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS Bemisia tabaci 92.0
Resistance ratio of LC50 for Bemisia tabaci biotype-B B1 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS Bemisia tabaci 1.6
Resistance ratio of LC50 for Bemisia tabaci biotype-Q Q3 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS Bemisia tabaci 1900.0
Resistance ratio of LC50 for Bemisia tabaci biotype-Q Q2 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS Bemisia tabaci 390.0
Resistance ratio of LC50 for Bemisia tabaci biotype-Q Q1 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS Bemisia tabaci 5.8
Insecticidal activity against Bemisia tabaci biotype-B B4 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 1200.0 ug.mL-1
Insecticidal activity against Bemisia tabaci biotype-B B2 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 220.0 ug.mL-1
Insecticidal activity against Bemisia tabaci biotype-B B3 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 1200.0 ug.mL-1
Insecticidal activity against Bemisia tabaci biotype-B B1 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 3.9 ug.mL-1
Insecticidal activity against Bemisia tabaci biotype-Q Q3 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 4600.0 ug.mL-1
Insecticidal activity against Bemisia tabaci biotype-Q Q2 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 930.0 ug.mL-1
Insecticidal activity against Bemisia tabaci biotype-Q Q1 (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 14.0 ug.mL-1
Insecticidal activity against Bemisia tabaci LABS (sweet potato whitefly) after 96 hr by leaf-dip bioassay Bemisia tabaci 2.4 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL1906026
FDA SRS F0G3V7874J
PubChem 9576037
SureChEMBL SCHEMBL26437
ZINC ZINC05457915
CONTENTS