ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1374568
CHEMBL1374568
Compound Name
ChEMBL Synonyms 4,4'-Bipyridine
Max Phase 0
Trade Names
Molecular Formula C10H8N2

Additional synonyms for CHEMBL1374568 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1cc(ccn1)c2ccncc2
Standard InChI InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H
Standard InChI Key MWVTWFVJZLCBMC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1374568

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
156.2 156.0687 2.14 1 25.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.27 1.23 1.23 2 12 0.63

Structural Alerts

There are no structural alerts for CHEMBL1374568

Compound Cross References

ChemSpider ChemSpider:MWVTWFVJZLCBMC-UHFFFAOYSA-N
PubChem SID: 144208866 SID: 144210894 SID: 22402302 SID: 26757392

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1374568



ACToR 37275-48-2 553-26-4
Brenda 104941 43387
ChEBI 30985
ChemicalBook CB1671180
eMolecules 481915
EPA CompTox Dashboard DTXSID2027200
FDA SRS X4O2OD61CB
IBM Patent System D726FCB4C70E6453A650CB0640712192
Mcule MCULE-9316653771
MolPort MolPort-000-145-989
Nikkaji J45.972K
NMRShiftDB 10016238
PubChem 11107
PubChem: Thomson Pharma 15146942
SureChEMBL SCHEMBL9728
ZINC ZINC000000043467

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