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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15732
CHEMBL15732
Compound Name
ChEMBL Synonyms 2-Methyl-Pyridine
Max Phase 0
Trade Names
Molecular Formula C6H7N

Additional synonyms for CHEMBL15732 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccccn1
Standard InChI InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
Standard InChI Key BSKHPKMHTQYZBB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15732

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
- 5.95 1.22 1.2 1 7 0.47

Structural Alerts

There are no structural alerts for CHEMBL15732

Compound Cross References

ChemSpider ChemSpider:BSKHPKMHTQYZBB-UHFFFAOYSA-N
PubChem SID: 144205504 SID: 144208891

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15732



ACToR 109-06-8 52962-96-6 1333-41-1
Brenda 32588 109443 146223 91119
ChEBI 50415
ChemicalBook CB3237870
eMolecules 478534
EPA CompTox Dashboard DTXSID9021899
FDA SRS 3716Q16Q6A
Human Metabolome Database HMDB0061888
IBM Patent System 6A74BE3F8F78AB43EBA8D3C69359FA4E
KEGG Ligand C14447
Mcule MCULE-3857746542
MolPort MolPort-019-379-301
Nikkaji J5.087C
NMRShiftDB 10008743
PubChem 7975
PubChem: Thomson Pharma 14867150
SureChEMBL SCHEMBL2684
ZINC ZINC000038192546

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