ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL21619
CHEMBL21619
Compound Name 2-AMINOPYRIDINE
ChEMBL Synonyms Pyridin-2-ylamine | 2-Aminopyridin | 2-Aminopyridine | Pyridin-2-amine
Max Phase 0
Trade Names
Molecular Formula C5H6N2

Additional synonyms for CHEMBL21619 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccccn1
Standard InChI InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
Standard InChI Key ICSNLGPSRYBMBD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL21619

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
94.1 94.0531 0.66 0 38.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.67 .53 .45 1 7 0.51

Structural Alerts

There are 1 structural alerts for CHEMBL21619. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ICSNLGPSRYBMBD-UHFFFAOYSA-N
PubChem SID: 144208078
Wikipedia 2-Aminopyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL21619



ACToR 24843-39-8 26445-05-6 504-29-0 102769-74-4
BindingDB 50013712
Brenda 20595
ChemicalBook CB8152736
eMolecules 477183
EPA CompTox Dashboard DTXSID0024505
FDA SRS WSX981HEWU
IBM Patent System 171A0753C7AC5B060259E252869EAA5F 8DFF87B9835980EF0652E9AF4C7CFC29
Mcule MCULE-9468698491
MolPort MolPort-000-872-112
Nikkaji J1.569E
NMRShiftDB 10008633
PubChem 10439
PubChem: Thomson Pharma 15296952
SureChEMBL SCHEMBL17844
ZINC ZINC000013952160

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