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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL509579
CHEMBL509579
Compound Name 2-CHLOROPYRIDINE
ChEMBL Synonyms 2-Chloropyridine
Max Phase 0
Trade Names
Molecular Formula C5H4ClN

Additional synonyms for CHEMBL509579 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccccn1
Standard InChI InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H
Standard InChI Key OKDGRDCXVWSXDC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL509579

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
113.6 113.0032 1.74 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
- .14 1.58 1.58 1 7 0.47

Structural Alerts

There are 5 structural alerts for CHEMBL509579. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OKDGRDCXVWSXDC-UHFFFAOYSA-N
PubChem SID: 144209481 SID: 144213624 SID: 17388837 SID: 49718212
Wikipedia 2-Chloropyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL509579



ACToR 109-09-1
Brenda 32508
ChEBI 39174
ChemicalBook CB9852776
eMolecules 493035
EPA CompTox Dashboard DTXSID8024810
FDA SRS 8HMD45AYEJ
IBM Patent System BB9193EEE61EFCD62BB8EF4DA98B6FD4 2BACC586B79D524601F904CFED35B206
Mcule MCULE-2536757727
MolPort MolPort-001-770-816
Nikkaji J2.430I
NMRShiftDB 20027596
PubChem 7977
PubChem: Thomson Pharma 15194349
SureChEMBL SCHEMBL16637
ZINC ZINC000000404334

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