5-Chloro-1,3-dihydro-2H-pyrrolo[3,2-B] pyridin-2-one

C7H5ClN2OCAS 136888-08-9168.58 g/mol

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NClNHO
AmideAryl halideLactam

Properties

Molecular formula
C7H5ClN2O
Molar mass
168.58 g/mol
Exact mass
168.0090 Da
logP
1.23Crippen estimate
Polar surface area
42.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
136888-08-9
SMILES
C1C2=C(C=CC(=N2)Cl)NC1=O
InChIKey
WYUIPMUZDFHKMP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2O/c8-6-2-1-4-5(9-6)3-7(11)10-4/h1-2H,3H2,(H,10,11)

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Names and synonyms

1 names
  • 5-Chloro-1H-pyrrolo[3,2-b]pyridin-2(3H)-one

Work with 5-Chloro-1,3-dihydro-2H-pyrrolo[3,2-B] pyridin-2-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

5-Chlorooxindole17630-75-046 % similar 4-Chloro-1,3-dihydro-2H-indol-2-one20870-77-344 % similar 5,6-Dichloroindolin-2-one71293-59-941 % similar 6-Bromo-4-aza-2-oxindole1190319-62-040 % similar 1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-540 % similar 4-Bromooxindole99365-48-740 % similar 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-B]pyridine810668-57-639 % similar 5-Bromo-2-oxindole20870-78-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-methoxypyridine-3-carbonitrile1008451-56-6 6-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one220896-14-0 4-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one346599-62-0 Zoxazolamine61-80-3 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-3

Elsewhere

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