PubChem Compound Lookup

Query the PubChem PUG REST API to search over 110 million chemical compounds by name, CID, SMILES, InChI, or molecular formula. Retrieve molecular properties, 2D/3D structures, bioactivity data, and perform similarity or substructure searches.

API Base URL

https://pubchem.ncbi.nlm.nih.gov/rest/pug

API Endpoints

Compound Lookup

Retrieve compound data by name, CID, or SMILES:

# By compound name
curl -s "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/JSON" | head -60