get_compound_info

Retrieve detailed chemical information for compounds using PubChem Compound IDs, including structure data, properties, bioactivity, and safety information.

Instructions

Get detailed information for a specific compound by PubChem CID

Input Schema

TableJSON Schema

Name	Required	Description	Default
`cid`	Yes	PubChem Compound ID (CID)
`format`	No	Output format (default: json)

Implementation Reference

src/index.ts:882-905 (handler)

The handler function that implements the core logic of the 'get_compound_info' tool. It validates input arguments using isValidCidArgs, fetches compound data from the PubChem API based on the provided CID and optional format, and returns the response as text content.

private async handleGetCompoundInfo(args: any) {
  if (!isValidCidArgs(args)) {
    throw new McpError(ErrorCode.InvalidParams, 'Invalid CID arguments');
  }

  try {
    const format = args.format || 'json';
    const response = await this.apiClient.get(`/compound/cid/${args.cid}/${format === 'json' ? 'JSON' : format}`);

    return {
      content: [
        {
          type: 'text',
          text: format === 'json' ? JSON.stringify(response.data, null, 2) : String(response.data),
        },
      ],
    };
  } catch (error) {
    throw new McpError(
      ErrorCode.InternalError,
      `Failed to get compound info: ${error instanceof Error ? error.message : 'Unknown error'}`
    );
  }
}

src/index.ts:383-394 (registration)

The tool registration entry in the ListToolsRequestSchema handler, defining the name, description, and input schema for 'get_compound_info'.

{
  name: 'get_compound_info',
  description: 'Get detailed information for a specific compound by PubChem CID',
  inputSchema: {
    type: 'object',
    properties: {
      cid: { type: ['number', 'string'], description: 'PubChem Compound ID (CID)' },
      format: { type: 'string', enum: ['json', 'sdf', 'xml', 'asnt', 'asnb'], description: 'Output format (default: json)' },
    },
    required: ['cid'],
  },
},

src/index.ts:386-393 (schema)

The input schema defining the expected parameters for the 'get_compound_info' tool: cid (required, number or string) and optional format.

inputSchema: {
  type: 'object',
  properties: {
    cid: { type: ['number', 'string'], description: 'PubChem Compound ID (CID)' },
    format: { type: 'string', enum: ['json', 'sdf', 'xml', 'asnt', 'asnb'], description: 'Output format (default: json)' },
  },
  required: ['cid'],
},

src/index.ts:65-74 (helper)

Helper validation function isValidCidArgs used by the handler to validate input arguments for CID and optional format.

const isValidCidArgs = (
  args: any
): args is { cid: number | string; format?: string } => {
  return (
    typeof args === 'object' &&
    args !== null &&
    (typeof args.cid === 'number' || typeof args.cid === 'string') &&
    (args.format === undefined || ['json', 'sdf', 'xml', 'asnt', 'asnb'].includes(args.format))
  );
};

src/index.ts:742-743 (registration)
Dispatch case in the CallToolRequestSchema handler that routes calls to 'get_compound_info' to the appropriate handler method.
```
case 'get_compound_info':
  return await this.handleGetCompoundInfo(args);
```

PubChem MCP Server