1142927-37-4

Basic information

• Product Name: 1,5-Naphthyridine-3-carbonitrile
• Synonyms: 1,5-Naphthyridine-3-carbonitrile
• CAS NO: 1142927-37-4
• Molecular Formula: C9H5N3
• Molecular Weight: 155
• Mol File: 1142927-37-4.mol

Chemical Properties

• Boiling Point: 341.4±22.0 °C(Predicted)
• Appearance: /
• Density: 1.29±0.1 g/cm3(Predicted)
• PKA: 0.92±0.10(Predicted)
• CAS DataBase Reference: 1,5-Naphthyridine-3-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1,5-Naphthyridine-3-carbonitrile(1142927-37-4)
• EPA Substance Registry System: 1,5-Naphthyridine-3-carbonitrile(1142927-37-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 1142927-37-4(Hazardous Substances Data)

Usage

General Description

1,5-Naphthyridine-3-carbonitrile is a chemical compound with the molecular formula C9H5N3. It is a heterocyclic compound containing a naphthyridine ring and a cyano group. This chemical is used in various organic synthesis reactions and as a building block for the production of pharmaceuticals and agrochemicals. It is also used as a research reagent in the field of organic chemistry. 1,5-Naphthyridine-3-carbonitrile has potential applications in the development of new drugs and materials due to its unique structure and reactivity. However, it is important to handle and use this chemical with caution, as it may have toxic or hazardous properties.

Upstream product

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Relevant articles and documents

Chemistry informer libraries: A chemoinformatics enabled approach to evaluate and advance synthetic methods

Major new advances in synthetic chemistry methods are typically reported using simple, non-standardized reaction substrates, and reaction failures are rarely documented. This makes the evaluation and choice of a synthetic method difficult. We report a standardized complex molecule diagnostic approach using collections of relevant drug-like molecules which we call chemistry informer libraries. With this approach, all chemistry results, successes and failures, can be documented to compare and evolve synthetic methods. To aid in the visualization of chemistry results in drug-like physicochemical space we have used an informatics methodology termed principal component analysis. We have validated this method using palladium- and copper-catalyzed reactions, including Suzuki-Miyaura, cyanation and Buchwald-Hartwig amination.