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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 0.68 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
Brenda 2033 51540
ChEBI 16227
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
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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