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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL559271
CHEMBL559271
Compound Name
ChEMBL Synonyms N-(3-(Trifluoromethoxy)Phenyl)Picolinamide
Max Phase 0
Trade Names
Molecular Formula C13H9F3N2O2

Additional synonyms for CHEMBL559271 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)Oc1cccc(NC(=O)c2ccccn2)c1
Standard InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)20-10-5-3-4-9(8-10)18-12(1 ...
Download InChI
Standard InChI Key HKZVOVXCSIZDAJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL559271

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
282.2 282.0616 3.23 3 51.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.15 2.33 3.35 3.35 2 20 0.94

Structural Alerts

There are no structural alerts for CHEMBL559271

Compound Cross References

ChemSpider ChemSpider:HKZVOVXCSIZDAJ-UHFFFAOYSA-N
PubChem SID: 85240646

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL559271



BindingDB 50293722
IBM Patent System 658E04CCEBD41813AE9A59DB6DCD3687
PubChem 38032499
PubChem: Thomson Pharma 81084157
SureChEMBL SCHEMBL2532524

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HKZVOVXCSIZDAJ-UHFFFAOYSA-N spacer
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