2,5-dichloro-4,6-dimethylnicotinonitrile

CAS Number: 91591-63-8

Molecular Formula: C8H6Cl2N2

About 2,5-dichloro-4,6-dimethylnicotinonitrile

2,5-Dichloro-4,6-dimethylnicotinonitrile (CAS 91591-63-8) serves as a critical high purity fine chemical building block for the synthesis of Opicapone, a COMT inhibitor used in Parkinson's disease treatment, and selective muscarinic receptor 4 (M4) positive allosteric modulators. 2,5-Dichloro-4,6-dimethyl-3-pyridinecar...

2,5-dichloro-4,6-dimethylnicotinonitrile Specifications

CAS Number

91591-63-8

Molecular Formula

C8H6Cl2N2

Molecular Weight

201.05 g/mol

IUPAC Name

2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile

Canonical SMILES

C=CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI Key

UCGWYTUBYASPFG-UHFFFAOYSA-N

PubChem CID

334852

CAS Number

91591-63-8

Molecular Formula

C8H6Cl2N2

Molecular Weight

201.05 g/mol

IUPAC Name

2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile

Canonical SMILES

C=CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI Key

UCGWYTUBYASPFG-UHFFFAOYSA-N

PubChem CID

334852

Molecular Weight

201.05 g/mol

Physical appearance

White to off-white powder or crystals

Pharmaceutical Intermediate

An important building block and precursor used in the chemical synthesis of Opicapone, a selective catechol-O-methyltransferase (COMT) inhibitor indicated as adjunctive therapy for the treatment of Parkinson's disease

Organic Synthesis Intermediate

A functionalized pyridine derivative employed as a starting material for the development of complex nitrogen-containing heterocyclic compounds, including selective muscarinic receptor 4 (M4) positive allosteric modulators like ML253

Agrochemical Intermediate

A potent organic compound used in the production of insecticides and pesticides to control various agricultural pests and plant diseases such as aphids and citrus wilt

Research and Development Reagent

A high-purity chemical reagent utilized in laboratory research for medicinal chemistry, drug discovery, and the synthesis of specialized organic molecules.