5-Bromo-1(2H)-isoquinolinone

C₉H₆BrNOCAS 190777-77-6224.06 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₉H₆BrNO
Molar mass: 224.06 g/mol
Exact mass: 222.9633 Da
logP: 2.70Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

190777-77-6

SMILES

Oc1nccc2c(Br)cccc12

InChIKey

UKIWLFJYNMJPEG-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)

Weigh it out

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

Names and synonyms

3 names

1(2H)-Isoquinolinone, 5-bromo-
5-Bromo-1-hydroxyisoquinoline
5-Bromoisoquinolin-1(2H)-one

Work with 5-Bromo-1(2H)-isoquinolinone

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

1,5-Isoquinolinediol5154-02-963 % similar 3-Bromo-2(1H)-pyridinone13466-43-855 % similar 1(2H)-Isoquinolinone491-30-553 % similar 5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-047 % similar 1,4-Dibromonaphthalene83-53-444 % similar 2,3-Dihydro-1,4-phthalazinedione1445-69-841 % similar 4-Bromo-8-methoxyquinoline103028-31-541 % similar 4-Bromo-1-chloroisoquinoline66728-98-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-8-hydroxyquinoline1198-14-7 6-Bromo-4-hydroxyquinoline145369-94-4 4-Cyanophenacyl bromide20099-89-2 7-Bromo-4-hydroxyquinoline82121-06-0 6-Bromo-1(2H)-isoquinolinone82827-09-6 5-Bromoindole-3-carboxaldehyde877-03-2

Elsewhere

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