4-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one

C₇H₅ClN₂OCAS 346599-62-0168.58 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₇H₅ClN₂O
Molar mass: 168.58 g/mol
Exact mass: 168.0090 Da
logP: 1.23Crippen estimate
Polar surface area: 42.0 Å²
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. Search the SDS library

Identifiers

CAS number

346599-62-0

SMILES

C1C2=C(C=CN=C2NC1=O)Cl

InChIKey

MUJHLWISGAWFPZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)

Weigh it out

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

Work with 4-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-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

4-Chloro-1,3-dihydro-2H-indol-2-one20870-77-357 % similar 5,6-Dichloroindolin-2-one71293-59-942 % similar 5-Bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one183208-34-639 % similar tert-Butyl (4-chloro-3-formylpyridin-2-yl)carbamate868736-42-938 % similar 3-Chloro-2-hydrazinylpyridine22841-92-538 % similar 1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-538 % similar 2,6-Dichlorophenylacetic acid6575-24-237 % similar 5-Chlorooxindole17630-75-037 % similar

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

Same formula

4-Chloro-2-methoxypyridine-3-carbonitrile1008451-56-6 5-Chloro-1,3-dihydro-2H-pyrrolo[3,2-B] pyridin-2-one136888-08-9 6-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one220896-14-0 Zoxazolamine61-80-3 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook