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

C₇H₅ClN₂OCAS 220896-14-0168.58 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

Identifiers

CAS number

220896-14-0

SMILES

C1C2=C(NC1=O)N=C(C=C2)Cl

InChIKey

UCWFVLDDBLQHPM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

6-Chloro-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one

Work with 6-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

5-Chlorooxindole17630-75-043 % similar 5-Bromo-2-oxindole20870-78-436 % similar 5-Hydroxyoxindole3416-18-036 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-436 % similar Clopyralid1702-17-633 % similar 2,6-Dichloronicotinic acid38496-18-333 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one837392-64-032 % similar 6-Chloropicolinic acid4684-94-032 % 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 Zoxazolamine61-80-3 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-3

Elsewhere

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