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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL266158
CHEMBL266158
Compound Name PYRIDINE
ChEMBL Synonyms Pyridine
Max Phase 0
Trade Names
Molecular Formula C5H5N

Additional synonyms for CHEMBL266158 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccncc1
Standard InChI InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
Standard InChI Key JUJWROOIHBZHMG-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL266158

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
79.1 79.0422 1.08 0 12.89 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.23 .84 .83 1 6 0.45

Structural Alerts

There are no structural alerts for CHEMBL266158

Compound Cross References

ChemSpider ChemSpider:JUJWROOIHBZHMG-UHFFFAOYSA-N
PubChem SID: 144208158 SID: 17389599
Wikipedia Pyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL266158



ACToR 110-86-1
BindingDB 50176909
Brenda 2033 51540
ChEBI 16227
ChemicalBook CB8852825
eMolecules 475020
EPA CompTox Dashboard DTXSID9021924
FDA SRS NH9L3PP67S
Human Metabolome Database HMDB0000926
IBM Patent System 67404D7C426BE6599858C83A128418E8 06FCB7709728689AD3FDCA3768A17532 AA3EE3C3B87932D890D07783328BB5D3 C4F805301AECE73BDF6FB16A2D2B10CE
KEGG Ligand C00747
Mcule MCULE-4028120692
MolPort MolPort-000-872-057
Nikkaji J2.883E
NMRShiftDB 10017437
PDBe 0PY
PubChem 1049
PubChem: Thomson Pharma 15119625
Rhea 16227
SureChEMBL SCHEMBL16 SCHEMBL17364321
ZINC ZINC000000895354

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