1-[6-(4-bromanyl-3-fluoranyl-phenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-[6-(4-bromanyl-3-fluoranyl-phenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-[6-(4-bromo-3-fluoro-phenyl)-2-pyridyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-[6-(4-bromo-3-fluorophenyl)-2-pyridinyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-[6-(4-bromo-3-fluorophenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-[6-(4-bromo-3-fluoro-phenyl)-2-pyridyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C16H8BrF4N3O2 MolecularWeight: 430.151233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F)C3=CC(=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=NC(=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F)C3=CC(=C(C=C3)Br)F

InChI

InChI=1S/C16H8BrF4N3O2/c17-10-5-4-8(6-11(10)18)12-2-1-3-13(23-12)24-14(16(19,20)21)9(7-22-24)15(25)26/h1-7H,(H,25,26)