chempirical

5-Bromoquinoline

C9H6BrNCAS 4964-71-0208.06 g/mol

Open in Covalent MOL file
NBr
Aryl halide

Properties

Molecular formula
C9H6BrN
Molar mass
208.06 g/mol
Exact mass
206.9684 Da
logP
3.00Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 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
4964-71-0
SMILES
C1=CC2=C(C=CC=N2)C(=C1)Br
InChIKey
CHODTZCXWXCALP-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H

Weigh it out

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

Work with 5-Bromoquinoline

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-Chloroquinoline635-27-857 % similar 5-Hydroxyquinoline578-67-655 % similar 5-Aminoquinoline611-34-755 % similar 1,5-Naphthyridine254-79-552 % similar 1,5-Dibromonaphthalene7351-74-852 % similar Quinoline-5-carboxaldehyde22934-41-450 % similar Quinolin-5-ylboronic acid355386-94-650 % similar 3-Bromo-2-chloropyridine52200-48-350 % similar

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

Same formula

1-Bromoisoquinoline1532-71-4 4-Bromoisoquinoline1532-97-4 8-Bromoquinoline16567-18-3 2-Bromoquinoline2005-43-8 3-Bromoisoquinoline34784-02-6 5-Bromoisoquinoline34784-04-8 6-Bromoisoquinoline34784-05-9 4-Bromoquinoline3964-04-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook