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

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)

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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 5-Chlorooxindole17630-75-036 % similar 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-036 % similar 5-Hydroxyoxindole3416-18-036 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-436 % similar 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-435 % similar 5-Bromo-3-fluoropicolinic acid669066-91-534 % similar 6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one1017783-09-333 % 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 3-Amino-6-bromo-1,2-benzisoxazole177995-39-0

Elsewhere

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