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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15722
CHEMBL15722
Compound Name 3-METHYLPYRIDINE
ChEMBL Synonyms 3-Picoline
Max Phase 0
Trade Names
Molecular Formula C6H7N

Additional synonyms for CHEMBL15722 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccnc1
Standard InChI InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
Standard InChI Key ITQTTZVARXURQS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15722

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 1.17 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
- 5.52 1.34 1.33 1 7 0.47

Structural Alerts

There are no structural alerts for CHEMBL15722

Compound Cross References

ChemSpider ChemSpider:ITQTTZVARXURQS-UHFFFAOYSA-N
PubChem SID: 144209164 SID: 144213318 SID: 17389601 SID: 49718209
Wikipedia 3-Methylpyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15722



ACToR 61204-14-6 108-99-6
Brenda 51558 15536 108330
ChEBI 39922
DrugBank DB01996
eMolecules 490699
EPA CompTox Dashboard DTXSID9021897
FDA SRS B083J4KF7F
Human Metabolome Database HMDB0061887
IBM Patent System A2BA1B72751041D8F543AFC80B2305DD
Mcule MCULE-7651055603
MolPort MolPort-019-369-024
Nikkaji J5.085G
NMRShiftDB 20027594
PDBe 3MP
PubChem 7970
PubChem: Thomson Pharma 15321090
SureChEMBL SCHEMBL10530
ZINC ZINC000008294958

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