chempirical

7-Bromoquinolin-4-ol

C9H6BrNOCAS 82121-06-0224.06 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
Melting point
279–281 °C
logP
2.29Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
82121-06-0
SMILES
O=c1cc[nH]c2cc(Br)ccc12
InChIKey
GGCBEWNXEGDQAP-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)

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

Names and synonyms

3 names
  • 7-Bromo-4-hydroxyquinoline
  • 4-Quinolinol, 7-bromo-
  • 7-Bromo-4-quinolinol

Work with 7-Bromoquinolin-4-ol

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

7-Chloro-4-hydroxyquinoline86-99-759 % similar 4-Hydroxy-7-(trifluoromethyl)quinoline322-97-454 % similar 7-Methoxyquinolin-4-ol82121-05-954 % similar 6-Bromoindole52415-29-953 % similar 4-Hydroxyquinoline611-36-953 % similar 6-Bromoisoquinolin-1(2H)-one82827-09-650 % similar 6-Bromo-1H-indazol-3-ol885521-92-649 % similar 5-Bromoindole10075-50-048 % 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 7-Bromo-1-hydroxyisoquinoline223671-15-6 4-Bromobenzoylacetonitrile4592-94-3

Elsewhere

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