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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274794
CHEMBL274794
Compound Name 2-PYRIDINECARBOXALDEHYDE
ChEMBL Synonyms Pyridine-2-Carbaldehyde
Max Phase 0
Trade Names
Molecular Formula C6H5NO

Additional synonyms for CHEMBL274794 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=Cc1ccccn1
Standard InChI InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
Standard InChI Key CSDSSGBPEUDDEE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL274794

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
107.1 107.0371 0.87 1 29.96 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
- 3.72 .44 .44 1 8 0.5

Structural Alerts

There are 6 structural alerts for CHEMBL274794. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CSDSSGBPEUDDEE-UHFFFAOYSA-N
Wikipedia 2-Formylpyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274794



ACToR 26445-06-7 1121-60-4
Brenda 30571 148928 98200 7490 34463 174038 30369 58055 145255 34544
ChEBI 73012
eMolecules 531226
EPA CompTox Dashboard DTXSID1061522
IBM Patent System 03BFD63AFBBE6A51C166406C8846D534
Mcule MCULE-4937131604
Nikkaji J28.014C
NMRShiftDB 10008795
PubChem 14273
PubChem: Thomson Pharma 15146425
SureChEMBL SCHEMBL55278
ZINC ZINC000000158582

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