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

6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one C11H7ClN4O2 (cas 43200-81-3) Molecular Structure

43200-81-3 Structure

Identification and Related Records

【Name】
6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one
【Iupac name】
6-(5-chloropyridin-2-yl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one
【CAS Registry number】
43200-81-3
【Synonyms】
6-(5-Chloropyrid-2-yl)-5-hydroxy-7-oxo-5,6-dihydropyrrolo[3,4-b]pyrazine
RP29307
5H-Pyrrolo[3,4-b]pyrazin-5-one,6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-hydroxy-
【EINECS(EC#)】
256-139-4
【Molecular Formula】
C11H7ClN4O2 (Products with the same molecular formula)
【Molecular Weight】
262.65
【Inchi】
InChI=1/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
【Canonical SMILES】
C1=CC(=NC=C1Cl)N2C(C3=NC=CN=C3C2=O)O
【MOL File】
43200-81-3.mol

Chemical and Physical Properties

【Appearance】
Yellow Crystalline Powder
【Density】
1.653g/cm3
【Melting Point】
240.5-241.50C
【Boiling Point】
525.2°Cat760mmHg
【Refractive Index】
1.719
【Flash Point】
271.5°C
【Storage temp】
-20°C Freezer
【Computed Properties】
Molecular Weight:262.65188 [g/mol]
Molecular Formula:C11H7ClN4O2
XLogP3-AA:0.1
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:1
Exact Mass:262.025753
MonoIsotopic Mass:262.025753
Topological Polar Surface Area:79.2
Heavy Atom Count:18
Formal Charge:0
Complexity:343
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1.4
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Specification】

Yellow Crystalline Powder
usageEng:Eszopiclone intermediate

Use and Manufacturing

【Usage】

 6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one (CAS NO.43200-81-3) is used as Eszopiclone intermediate.

Biomedical Effects and Toxicity

【Therapeutic Uses】
Eszopiclone intermediate

Supplier Location

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