5-Iodo-1H-indazol-3-ol 95% Purity CAS 141122-62-5 Halogenated Indazole Intermediate for Pharmaceutical Research

Product Overview

5-Iodo-1H-indazol-3-ol is a halogenated indazole derivative featuring an iodine atom at the 5-position and a hydroxyl group at the 3-position . The indazole scaffold is a privileged structure in medicinal chemistry, forming the core of numerous pharmaceuticals including kinase inhibitors . This compound is a high-purity research-grade intermediate used in the synthesis of pharmaceutical candidates and bioactive molecules .

Physicochemical Properties

• Molecular Formula: C₇H₅IN₂O 

• Molecular Weight: 260.03 g/mol 

• Density: 2.2±0.1 g/cm³ (Predicted) 

• Boiling Point: 443.2±25.0 °C at 760 mmHg (Predicted) 

• Flash Point: 221.9±23.2 °C (Predicted) 

• LogP: 1.8731-2.79 

• PSA: 48.91 Ų 

Tautomeric Equilibrium

A critical feature of 3-hydroxyindazoles is their existence in a tautomeric equilibrium with the corresponding keto form, 1,2-dihydro-3H-indazol-3-one. In solution, the 3-hydroxy-1H-indazole tautomer is generally considered to be the predominant form .

Synthetic Utility

The iodine substituent at the 5-position allows for palladium-catalyzed coupling reactions, including Suzuki, Sonogashira, and Buchwald-Hartwig couplings . The hydroxyl group at the 3-position provides opportunities for O-alkylation and other derivatization reactions . The presence of three key reactive sites—the indazole nitrogen atoms, the hydroxyl group at the C3-position, and the iodine atom at the C5-position—makes this molecule a highly versatile intermediate for the construction of complex molecular architectures .

Quality Specifications

• Purity: ≥95.0% (determined by HPLC area normalization) 

• Appearance: Off-white to light beige solid 

• Molecular Formula: C₇H₅IN₂O 

• Molecular Weight: 260.03 g/mol 

• Identification: Conforms to structure by NMR and Mass Spectrometry

• Storage: Moisture sensitive; store under inert gas

Packaging & Storage

• Packaging: Available in 1g-1kg packaging. Custom packaging available upon request .

• Storage: Store at 2-8°C, sealed, protected from light .

• Shelf Life: 24 months.

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