477851-07-3

Basic information

• Product Name: 1-OXO-2-(3-PYRIDINYLMETHYL)-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
• Synonyms: 1-OXO-2-(3-PYRIDINYLMETHYL)-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLIC ACID;4-Carboxy-1,2-dihydro-1-oxo-2-[(pyridin-3-yl)methyl]isoquinoline, 3-[(4-Carboxy-1-oxoisoquinolin-2(1H)-yl)methyl]pyridine
• CAS NO: 477851-07-3
• Molecular Formula: C16H12N2O3
• Molecular Weight: 280.28
• Mol File: 477851-07-3.mol
• Article Data: 0

Chemical Properties

• Melting Point: 298°C
• Boiling Point: 505.9±50.0 °C(Predicted)
• Appearance: /
• Density: 1.409±0.06 g/cm3(Predicted)
• PKA: 6.51±0.20(Predicted)
• CAS DataBase Reference: 1-OXO-2-(3-PYRIDINYLMETHYL)-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-OXO-2-(3-PYRIDINYLMETHYL)-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLIC ACID(477851-07-3)
• EPA Substance Registry System: 1-OXO-2-(3-PYRIDINYLMETHYL)-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLIC ACID(477851-07-3)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 477851-07-3(Hazardous Substances Data)

Usage

Explanation

The compound consists of 20 carbon atoms, 13 hydrogen atoms, 2 nitrogen atoms, and 3 oxygen atoms in its structure.

Explanation

The compound is derived from the isoquinoline core structure, which is a tricyclic aromatic system with two benzene rings fused to a six-membered nitrogen-containing ring.

Explanation

The compound contains a carboxylic acid functional group (-COOH), which is a key feature in many biologically active molecules and can participate in various chemical reactions and interactions.
4. Presence of pyridine ring

Explanation

The compound includes a pyridine ring (a six-membered aromatic ring with one nitrogen atom), which is known for its importance in various pharmaceutical compounds and can contribute to the compound's biological activity.

Explanation

Due to its unique structure and the presence of biologically relevant functional groups, 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic acid may have potential applications in the pharmaceutical industry as a therapeutic agent.

Explanation

Research on this compound suggests that it may exhibit antiviral and antibacterial activities, making it a potential candidate for the development of new drugs to treat viral and bacterial infections.

Explanation

More research is required to fully understand the potential applications, effects, and mechanisms of action of 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic acid in order to determine its suitability as a pharmaceutical compound.

Chemical class

Isoquinoline derivative

Functional group

Carboxylic acid

Potential applications

Pharmaceutical industry

Possible biological activity

Antiviral and antibacterial properties

Further studies needed

Understanding potential uses and effects