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OJ7

Summary
Name:3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole
Formula:C15 H10 Cl F3 N2
Formal charge:0
Formula weight:310.702 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole
OpenEye OEToolkits2.0.73-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1~{H}-indole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c31c(nc(c1c2c(Cl)cc(cn2)C(F)(F)F)C)cccc3
InChIInChI1.03InChI=1S/C15H10ClF3N2/c1-8-13(10-4-2-3-5-12(10)21-8)14-11(16)6-9(7-20-14)15(17,18)19/h2-7,21H,1H3
InChIKeyInChI1.03DFUZKSKLYCWMQD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1[nH]c2ccccc2c1c3ncc(cc3Cl)C(F)(F)F
SMILESCACTVS3.385Cc1[nH]c2ccccc2c1c3ncc(cc3Cl)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl
SMILESOpenEye OEToolkits2.0.7Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl

218853

PDB entries from 2024-04-24

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