chempirical

6-Bromoquinolin-2(1H)-one

C9H6BrNOCAS 1810-66-8224.06 g/mol

Open in Covalent MOL file
ONHBr
Aryl halide

Properties

Molecular formula
C9H6BrNO
Molar mass
224.06 g/mol
Exact mass
222.9633 Da
logP
2.29Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
1810-66-8
SMILES
C1=CC2=C(C=CC(=O)N2)C=C1Br
InChIKey
YLAFBGATSQRSTB-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)

Weigh it out

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

Names and synonyms

1 names
  • 6-Bromo-2(1H)-quinolone

Work with 6-Bromoquinolin-2(1H)-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

6-Hydroxy-2(1H)-quinolinone19315-93-661 % similar 5-Bromo-1,3-dihydro-2H-benzimidazol-2-one39513-26-355 % similar 6-Bromo-2(1H)-quinoxalinone55687-34-854 % similar 5-Bromoindole10075-50-052 % similar 5-Bromo-2-methylindole1075-34-952 % similar Quinolinol1321-40-050 % similar 2,6-Dibromonaphthalene13720-06-450 % similar 2,6-Dibromoanthracene186517-01-146 % 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 6-Bromoindole-3-carbaldehyde17826-04-9 5-Bromo-1(2H)-isoquinolinone190777-77-6 4-Cyanophenacyl bromide20099-89-2 7-Bromo-1-hydroxyisoquinoline223671-15-6 4-Bromobenzoylacetonitrile4592-94-3 3-(2-Bromoacetyl)benzonitrile50916-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook