You can access the PubChem Compound Intelligence programmatically from your own applications by using the Apify API. You can also choose the language preference from below. To use the Apify API, you’ll need an Apify account and your API token, found in API & Integrations in Apify Console.

Python

JavaScript

CLI

OpenAPI

HTTP

MCP

1import { ApifyClient } from 'apify-client';
2
3// Initialize the ApifyClient with your Apify API token
4// Replace the '<YOUR_API_TOKEN>' with your token
5const client = new ApifyClient({
6    token: '<YOUR_API_TOKEN>',
7});
8
9// Prepare Actor input
10const input = {
11    "compoundNames": [
12        "Aspirin",
13        "Ibuprofen",
14        "Paracetamol"
15    ]
16};
17
18// Run the Actor and wait for it to finish
19const run = await client.actor("wakey7dev/pubchem-compound-lookup").call(input);
20
21// Fetch and print Actor results from the run's dataset (if any)
22console.log('Results from dataset');
23console.log(`💾 Check your data here: https://console.apify.com/storage/datasets/${run.defaultDatasetId}`);
24const { items } = await client.dataset(run.defaultDatasetId).listItems();
25items.forEach((item) => {
26    console.dir(item);
27});
28
29// 📚 Want to learn more 📖? Go to → https://docs.apify.com/api/client/js/docs

PubChem Compound Scraper | Chemical Data API in JavaScript

The Apify API client for JavaScript is the official library that allows you to use PubChem Compound Intelligence API in JavaScript or TypeScript, providing convenience functions and automatic retries on errors.

Install the apify-client

$npm install apify-client

Other API clients include:

PubChem Compound Intelligence API in Python

PubChem Compound Intelligence API through CLI

PubChem Compound Intelligence OpenAPI definition

PubChem Compound Intelligence API

PubChem Chemical Compound Scraper

cloud9_ai/pubchem-scraper

Search and extract chemical compound data from PubChem. Get molecular structures, properties, safety info, and bioactivity. No API key needed.

cloud9

PubChem Compound Scraper - Chemical & Drug Data API

pink_comic/pubchem-compound-search

Scrape NIH PubChem chemical compound data by name, formula, SMILES, or CID. Get molecular weight, IUPAC, InChI, SMILES, XLogP, synonyms, and drug data for pharma, toxicology, and R&D workflows.

Ava Torres

PubChem Compound Lookup — Chemistry API for Pharma R&D

azureblue/pubchem-compound-scraper

Look up chemical compounds in PubChem by name. Returns CID, molecular formula, weight, SMILES, InChI, IUPAC name, physicochemical properties, description and synonyms.

azureblue

PubChem Scraper — Chemical Compound Data

ponderable_hydrometer/pubchem-scraper

Look up chemical compounds from PubChem by name or CID — formula, weight, SMILES, InChI, IUPAC name, logP, TPSA & synonyms. Free keyless API. For chem, pharma & research.

Ponderable Hydrometer

PubChem Compound Properties

scrupulous_waterbird_m4w/pubchem-compounds

Look up PubChem compounds by name or CID and return normalized identifiers, molecular formula, weight, SMILES, InChI, synonyms, and PubChem URLs via the public PUG REST API.

Mori

PubChem Chemical Compound Scraper

crawlerbros/pubchem-chemical-compound-scraper

Search PubChem - the world's largest free chemistry database with 100M+ compounds. Search by name, get by CID, or fetch synonyms. Returns molecular formula, weight, SMILES, InChI, logP, H-bond counts, and more. No API key required.

Crawler Bros

PubChem Compound Scraper

crawlerbros/pubchem-scraper

Scrape PubChem - the world's largest free chemistry database with 100M+ compounds. Search by name, CID, SMILES, or full-text. Returns molecular formula, weight, SMILES, InChI, logP, H-bond counts, synonyms, and more.

Crawler Bros

PubChem Compound Scraper

parseforge/pubchem-compound-scraper

Look up chemical compounds on PubChem by CID, name, SMILES, or InChIKey. Returns a flat row of molecular properties including formula, weight, SMILES, InChI, IUPAC name, XLogP, and TPSA.

ParseForge

PubChem Compounds Scraper

automation-lab/pubchem-compound-batch-lookup

Resolve PubChem compounds in batches by CID, name, SMILES, InChI, or formula. Export normalized identity, structures, molecular properties, bounded synonyms, input resolution, and official source provenance.