chempirical

7-Bromo-1-hydroxyisoquinoline

C9H6BrNOCAS 223671-15-6224.06 g/mol

Open in Covalent MOL file
HNOBr
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
223671-15-6
SMILES
C1=CC(=CC2=C1C=CNC2=O)Br
InChIKey
DSOKREQUHLPVFR-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5H,(H,11,12)

Weigh it out

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

Names and synonyms

1 names
  • 7-Bromoisoquinolin-1-ol

Work with 7-Bromo-1-hydroxyisoquinoline

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(2H)-isoquinolinone82827-09-674 % similar 6-Bromoindole52415-29-953 % similar 6-Bromoquinazolin-4-ol32084-59-651 % similar 5-Bromoindole10075-50-048 % similar 7-Bromo-1H-quinazolin-4-one194851-16-647 % similar 4-Bromopyridin-2-ol36953-37-445 % similar 2,6-Dibromonaphthalene13720-06-441 % similar 10-Bromo-7H-benzo[C]carbazole1698-16-439 % 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 6-Bromoquinolin-2(1H)-one1810-66-8 5-Bromo-1(2H)-isoquinolinone190777-77-6 4-Cyanophenacyl bromide20099-89-2 4-Bromobenzoylacetonitrile4592-94-3 7-Bromo-4-hydroxyquinoline82121-06-0

Elsewhere

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