6-Bromo-4-aza-2-oxindole

C₇H₅BrN₂OCAS 1190319-62-0213.03 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

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 3 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

1190319-62-0

SMILES

C1C2=C(C=C(C=N2)Br)NC1=O

InChIKey

XRHPMEPZCXLPSM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

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

Work with 6-Bromo-4-aza-2-oxindole

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

6-Bromo-1,3-dihydro-2H-indol-2-one99365-40-953 % similar 5-Bromo-2-oxindole20870-78-449 % similar 6-Bromo-2H-1,4-benzoxazin-3(4H)-one24036-52-043 % similar 5-Chloro-1,3-dihydro-2H-pyrrolo[3,2-B] pyridin-2-one136888-08-940 % similar 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-140 % similar 1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-539 % similar 4-Bromooxindole99365-48-739 % similar Bikinin188011-69-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-5H-pyrrolo[3,4-b]pyridin-7(6H)-one1346809-61-7 6-Bromo-1,2-benzoxazol-3-amine177995-39-0 5-Bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one183208-34-6 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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