chempirical

6-(5-Chloro-2-pyridinyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-B]pyrazin-5-one

C11H7ClN4O2CAS 43200-81-3262.65 g/mol

Open in Covalent MOL file
ONNOHNClN
AlcoholAmideAryl halideLactam

Properties

Molecular formula
C11H7ClN4O2
Molar mass
262.65 g/mol
Exact mass
262.0258 Da
Melting point
242 °C
logP
1.18Crippen estimate
Polar surface area
79.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Identifiers

CAS number
43200-81-3
SMILES
O=C1c2nccnc2C(O)N1c1ccc(Cl)cn1
InChIKey
FUUXOEKDNNWZTR-UHFFFAOYSA-N
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 5H-Pyrrolo[3,4-b]pyrazin-5-one, 6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-hydroxy-
  • RP 29307
  • 6-(5-Chloropyrid-2-yl)-5-hydroxy-7-oxo-5,6-dihydropyrrolo[3,4-b]pyrazine
  • 6-(5-Chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one
  • 6-(5-Chloro-2-pyridinyl)-5-hydroxy-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazine

Work with 6-(5-Chloro-2-pyridinyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-B]pyrazin-5-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Eszopiclone138729-47-258 % similar Zopiclone43200-80-258 % similar Comins' reagent145100-51-233 % similar 5-Chloro-2-fluoropyridine1480-65-533 % similar 5-Chloro-2(1H)-pyridinone4214-79-330 % similar 2-(4-Chlorophenyl)-1H-isoindole-1,3(2H)-dione7386-21-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook