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C0J

Summary
Name:2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
Formula:C14 H12 F N3
Formal charge:0
Formula weight:241.264 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
OpenEye OEToolkits2.0.62-fluoranyl-6-(2-pyridin-2-ylethylamino)benzenecarbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(C#N)c(NCCc1ccccn1)cccc2F
InChIInChI1.03InChI=1S/C14H12FN3/c15-13-5-3-6-14(12(13)10-16)18-9-7-11-4-1-2-8-17-11/h1-6,8,18H,7,9H2
InChIKeyInChI1.03YVRWCTBZWMJROU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cccc(NCCc2ccccn2)c1C#N
SMILESCACTVS3.385Fc1cccc(NCCc2ccccn2)c1C#N
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccnc(c1)CCNc2cccc(c2C#N)F
SMILESOpenEye OEToolkits2.0.6c1ccnc(c1)CCNc2cccc(c2C#N)F

217705

PDB entries from 2024-03-27

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