Clonidine

C₉H₉Cl₂N₃ — CID 2803

About Clonidine

Clonidine (PubChem CID 2803) has the molecular formula C₉H₉Cl₂N₃ and a molecular weight of 230.10 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

• Compound Name: Clonidine
• PubChem CID: 2803
• Molecular Formula: C₉H₉Cl₂N₃
• Molecular Weight: 230.10 g/mol
• Exact Mass: 229.02
• IUPAC Name: N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
• SMILES: Clc1cccc(Cl)c1NC1=NCCN1
• InChI: InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
• InChIKey: GJSURZIOUXUGAL-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 36.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.10
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Clonidine?

The IUPAC name of Clonidine (CID 2803) is N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine.

What is the SMILES notation for Clonidine?

The canonical SMILES for Clonidine is Clc1cccc(Cl)c1NC1=NCCN1.

What is the InChIKey of Clonidine?

The InChIKey is GJSURZIOUXUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14).

What are the key properties of Clonidine?

Clonidine has a molecular weight of 230.10 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Clonidine is sourced from PubChem (CID 2803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2803 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 704 — approved-drug record (CC BY-SA 4.0)

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