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2JQ

Summary
Name:2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid
Formula:C15 H11 F3 N2 O3
Formal charge:0
Formula weight:324.255 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid
OpenEye OEToolkits1.7.62-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nc(ccc1)C)c2ccc(cc2C(=O)O)C(F)(F)F
InChIInChI1.03InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
InChIKeyInChI1.03JWCUSQCZMQIBMR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
SMILESCACTVS3.385Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F

225946

数据于2024-10-09公开中

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