Ornidazole

C₇H₁₀ClN₃O₃ — CID 28061

About Ornidazole

Ornidazole (PubChem CID 28061) has the molecular formula C₇H₁₀ClN₃O₃ and a molecular weight of 219.63 g/mol. Its IUPAC name is 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol.

Molecular Properties

• Compound Name: Ornidazole
• PubChem CID: 28061
• Molecular Formula: C₇H₁₀ClN₃O₃
• Molecular Weight: 219.63 g/mol
• Exact Mass: 219.04
• IUPAC Name: 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
• SMILES: Cc1ncc([N+](=O)[O-])n1CC(O)CCl
• InChI: InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
• InChIKey: IPWKIXLWTCNBKN-UHFFFAOYSA-N
• XLogP: 0.70
• TPSA: 81.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	219.63
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ornidazole?

The IUPAC name of Ornidazole (CID 28061) is 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol.

What is the SMILES notation for Ornidazole?

The canonical SMILES for Ornidazole is Cc1ncc([N+](=O)[O-])n1CC(O)CCl.

What is the InChIKey of Ornidazole?

The InChIKey is IPWKIXLWTCNBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3.

What are the key properties of Ornidazole?

Ornidazole has a molecular weight of 219.63 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ornidazole is sourced from PubChem (CID 28061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 28061 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1997 — approved-drug record (CC BY-SA 4.0)

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