5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione

C7H4N2O2CAS 4664-00-0148.12 g/mol

Open in Covalent MOL file
OHNON

Properties

Molecular formula
C7H4N2O2
Molar mass
148.12 g/mol
Exact mass
148.0273 Da
logP
0.54Crippen estimate
Polar surface area
62.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4664-00-0
SMILES
O=C1N=C(O)c2cccnc21
InChIKey
ZRKGTINFVOLLNT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O2/c10-6-4-2-1-3-8-5(4)7(11)9-6/h1-3H,(H,9,10,11)

Weigh it out

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

Names and synonyms

6 names
  • 2,3-Pyridinedicarboximide
  • Quinolinimide
  • Pyrrolo[3,4-b]pyridine-5,7-dione
  • 2,3-Pyridinecarboximide
  • NSC 405554
  • 5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione

Work with 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione

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

Phthalimide85-41-658 % similar Quinolinic acid339155-13-453 % similar Quinolinic acid89-00-953 % similar Naphthalimide81-83-450 % similar 3-Aminophthalimide2518-24-347 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-647 % similar 1 10-Phenanthroline-5 6-dione 9727318-90-747 % similar 4,5-Diazafluoren-9-one50890-67-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Cyanoisonicotinic acid161233-97-2 2,1,3-Benzoxadiazole-4-carboxaldehyde32863-32-4 5-Cyanopyridine-2-carboxylic acid53234-55-2 2-Nitrobenzonitrile612-24-8 3-Nitrobenzonitrile619-24-9 4-Nitrobenzonitrile619-72-7 6-Cyanonicotinic acid70165-31-0

Elsewhere

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