6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one - ≥97% , CAS No.43200-81-3

CAS: 43200-81-3 Cat. No.: C354615 Molecular Weight: 262.65 EC Number: 256-139-4

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1320897 | SCHEMBL654863 | 6-(5-chloropyridin-2-yl)-5-hydroxy-7-oxo-5,6-dihydroprolo(3,4b)pyrazine | ZOPICLONE IMPURITY B [EP IMPURITY] | 6-(5-chloro-2-pyridyl)-7-hydroxy-6,7-dihydro-5h-pyrrolo[3,4-b]pyrazine-5-on | AKOS025294760 | (7rs)-6-(5-chloro

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one is an impurity known as eszopiclone impurity B.

Specifications

Synonyms

SCHEMBL1320897 | SCHEMBL654863 | 6-(5-chloropyridin-2-yl)-5-hydroxy-7-oxo-5, 6-dihydroprolo(3, 4b)pyrazine | ZOPICLONE IMPURITY B [EP IMPURITY] | 6-(5-chloro-2-pyridyl)-7-hydroxy-6, 7-dihydro-5h-pyrrolo[3, 4-b]pyrazine-5-on | AKOS025294760 | (7rs)-6-(5-chloro

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504764225
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764225
• Canonical Smiles: C1=CC(=NC=C1Cl)N2C(C3=NC=CN=C3C2=O)O
• IUPAC Name: 6-(5-chloropyridin-2-yl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one
• InChIKey: FUUXOEKDNNWZTR-UHFFFAOYSA-N
• INCHI: 1S/C11H7ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,10,17H
• Isomeric SMILES: C1=CC(=NC=C1Cl)N2C(C3=NC=CN=C3C2=O)O
• Molecular Weight: 262.65
• Reaxy-Rn: 754787
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=754787&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyrazines
      • Subclass Cyclopyrrolones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyrazines
• Subclass: Cyclopyrrolones
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopyrrolones
• Alternative Parents: 2-heteroaryl carboxamides Pyridines and derivatives Pyrazines Imidolactams Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Alkanolamines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cyclopyrrolone - 2-heteroaryl carboxamide - Aryl chloride - Aryl halide - Imidolactam - Pyridine - Pyrazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Alkanolamine - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclopyrrolones. These are compounds belonging to a family of pyridin-2-ylpyrrole based chemicals. The pyrrole is usually fused to a benzene, pyrimidine, or dithiin.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in DMSO, and methanol.
• Refractive Index: n20D1.72 (Predicted)
• Boil Point(°C): ~525.24° C at 760 mmHg (Predicted)
• Melt Point(°C): 240-242° C
• Molecular Weight: 262.650 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 262.026 Da
• Monoisotopic Mass: 262.026 Da
• Topological Polar Surface Area: 79.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 343.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1