5-Bromo-8-hydroxyquinoline

C9H6BrNOCAS 1198-14-7224.06 g/mol

Open in Covalent MOL file
HOBrN
Aryl halidePhenol

Properties

Molecular formula
C9H6BrNO
Molar mass
224.06 g/mol
Exact mass
222.9633 Da
Melting point
124 °C
logP
2.70Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
1198-14-7
SMILES
Oc1ccc(Br)c2cccnc12
InChIKey
WIIUANWSGSTCLG-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H

Weigh it out

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

Names and synonyms

3 names
  • 8-Quinolinol, 5-bromo-
  • 5-Bromo-8-quinolinol
  • NSC 74941

Work with 5-Bromo-8-hydroxyquinoline

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-Chloro-8-hydroxyquinoline130-16-559 % similar 5-Fluoro-8-quinolinol387-97-359 % similar 5-Bromo-quinolin-8-ylamine53472-18-759 % similar 5,7-Dibromo-8-hydroxyquinoline521-74-457 % similar 5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-057 % similar 4-Bromonaphthalen-1-ol571-57-355 % similar 5-Amino-8-hydroxyquinoline dihydrochloride21302-43-254 % similar 5-Nitroso-8-hydroxyquinoline3565-26-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 7-Bromo-1-hydroxyisoquinoline223671-15-6 4-Bromobenzoylacetonitrile4592-94-3 3-(2-Bromoacetyl)benzonitrile50916-55-7

Elsewhere

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