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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

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-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one183208-34-641 % similar 5,6-Dichloroindolin-2-one71293-59-941 % similar 1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-540 % similar 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-B]pyridine810668-57-639 % similar 6-Fluoro-2,3-dihydro-1H-indol-2-one56341-39-039 % similar 6-Bromo-1,3-dihydro-2H-indol-2-one99365-40-939 % similar 4-Chloro-1,3-dihydro-2H-indol-2-one20870-77-337 % 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 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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