1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C12H9ClF3N3O2 MolecularWeight: 319.66697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C)C(=O)O

InChI

InChI=1S/C12H9ClF3N3O2/c1-5-9(11(20)21)6(2)19(18-5)10-8(13)3-7(4-17-10)12(14,15)16/h3-4H,1-2H3,(H,20,21)