PubChem Property API
Provides programmatic access to chemical property data from the PubChem database, allowing retrieval of molecular descriptors such as molecular formula, weight, SMILES, and IUPAC names by compound identifier, name, SMILES notation, or InChIKey. Also supports synonym lookups and compound ID resolution.
Screenshot:
Slug: pubchem-property
Key:
Base URL:
Auth: none
Endpoints: 17
Category: chemistry
Reachable: yes
CORS: unknown
Tier: verified
Last checked: 2026-03-14 16:09:20.346112
Key:
nih.gov:pubchem-property-apiBase URL:
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/Auth: none
Endpoints: 17
Category: chemistry
Reachable: yes
CORS: unknown
Tier: verified
Last checked: 2026-03-14 16:09:20.346112
Links
Homepage: https://pubchem.ncbi.nlm.nih.gov/docs/pug-rest-tutorial
API Base:
API Base:
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/Topics
CHEMISTRY, GOVERNMENT, SCIENCE
Tutorials
- Getting Started with PubChem PUG REST — I can look up molecular properties — formula, weight, SMILES, IUPAC name — for any compound in PubChem by name, CID, SMILES, or InChIKey in a single unauthenticated GET, but I can only return structural descriptors, not bioassay or toxicity data.
Skills
- Look up compound properties — I can look up molecular properties — formula, weight, SMILES, IUPAC name — for any compound in PubChem by name, InChIKey, or SMILES in a single unauthenticated GET, but only structural descriptors, not bioassay or toxicity data.
Endpoints (17)
| Path | Summary | Response | Auth |
|---|---|---|---|
| cid/{cid}/property/{properties}/{output_format} | Get properties by PubChem CID | ? |
— |
| compound/cid/{cid}/description/JSON | Get compound descriptions by CID | application/json |
— |
| compound/cid/{cid}/property/{properties}/{output} | Get compound properties by CID | application/json |
— |
| compound/cid/{cid}/property/{property}/JSON | Get compound properties by CID | text/csv |
— |
| compound/cid/{cid}/synonyms/JSON | Get compound synonyms by CID | application/json |
— |
| compound/inchikey/{inchikey}/cids/JSON | Get CIDs by InChIKey | application/json |
— |
| compound/inchikey/{inchikey}/property/{properties}/{output} | Get compound properties by InChIKey | application/json |
— |
| compound/inchikey/{inchikey}/property/{property}/JSON | Get compound properties by InChIKey | application/json |
— |
| compound/name/{name}/cids/JSON | Get CIDs by compound name | application/json |
— |
| compound/name/{name}/description/JSON | Get compound descriptions by name | application/json |
— |
| compound/name/{name}/property/{properties}/{output} | Get compound properties by name | application/json |
— |
| compound/name/{name}/property/{property}/JSON | Get compound properties by name | application/json |
— |
| compound/name/{name}/synonyms/JSON | Get compound synonyms by name | application/json |
— |
| compound/smiles/{smiles}/property/{properties}/{output} | Get compound properties by SMILES | application/json |
— |
| inchikey/{inchikey}/property/{properties}/{output_format} | Get properties by InChIKey | ? |
— |
| name/{compound_name}/property/{properties}/{output_format} | Get properties by compound name | ? |
— |
| smiles/{smiles}/property/{properties}/{output_format} | Get properties by SMILES notation | ? |
— |