5-Bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one

C₇H₅BrN₂OCAS 183208-34-6213.03 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₇H₅BrN₂O
Molar mass: 213.03 g/mol
Exact mass: 211.9585 Da
logP: 1.34Crippen estimate
Polar surface area: 42.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

183208-34-6

SMILES

C1C2=C(NC1=O)N=CC(=C2)Br

InChIKey

DHPKTHROZFIEJK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1,3H,2H2,(H,9,10,11)

Weigh it out

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

Names and synonyms

1 names

5-Bromo-1H-pyrrolo[2 , 3-B]pyridin-2(3H)-one

Work with 5-Bromo-1H,2H,3H-pyrrolo(2,3-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-Bromo-2-oxindole20870-78-454 % similar 6-Bromo-1,3-dihydro-2H-indol-2-one99365-40-950 % similar 6-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one220896-14-041 % similar 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-140 % similar 1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-540 % similar 4-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one346599-62-039 % similar Bikinin188011-69-038 % similar 7-(4-Bromobenzoyl)-1,3-dihydro-2H-indol-2-one91713-91-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-4-aza-2-oxindole1190319-62-0 3-Bromo-5H-pyrrolo[3,4-b]pyridin-7(6H)-one1346809-61-7 6-Bromo-1,2-benzoxazol-3-amine177995-39-0 5-(Bromomethyl)-2,1,3-benzoxadiazole32863-31-3 5-Bromo-1,3-dihydro-2H-benzimidazol-2-one39513-26-3 6-Bromo-1H-indazol-3-ol885521-92-6

Elsewhere

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