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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15544
CHEMBL15544
Compound Name
ChEMBL Synonyms 4-Methyl-Pyridine
Max Phase 0
Trade Names
Molecular Formula C6H7N

Additional synonyms for CHEMBL15544 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccncc1
Standard InChI InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
Standard InChI Key FKNQCJSGGFJEIZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15544

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
93.1 93.0578 1.39 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
- 5.94 1.33 1.31 1 7 0.47

Structural Alerts

There are no structural alerts for CHEMBL15544

Compound Cross References

ChemSpider ChemSpider:FKNQCJSGGFJEIZ-UHFFFAOYSA-N
PubChem SID: 144208598 SID: 144213278

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15544



ACToR 51010-00-5 108-89-4 110501-55-8
Brenda 108444 29558 30023
ChEBI 32547
ChemicalBook CB3778430
eMolecules 480091
EPA CompTox Dashboard DTXSID4021892
FDA SRS TJD6V9SSO7
IBM Patent System 074FA014277270439A1ABEF0DF52CFF7 A7F668119DCDFD43EDDB3BC8BF474476
Mcule MCULE-2244521363
MolPort MolPort-001-788-294
Nikkaji J5.084I
NMRShiftDB 10008745
PubChem 7963
PubChem: Thomson Pharma 15213216
SureChEMBL SCHEMBL12062
ZINC ZINC000000967366

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