chempirical

8-Bromo-5-fluoroquinoline

C9H5BrFNCAS 917251-99-1226.05 g/mol

Open in Covalent MOL file
NBrF
Aryl halide

Properties

Molecular formula
C9H5BrFN
Molar mass
226.05 g/mol
Exact mass
224.9589 Da
logP
3.14Crippen 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
917251-99-1
SMILES
C1=CC2=C(C=CC(=C2N=C1)Br)F
InChIKey
OUZLPGJFGCOKJJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H5BrFN/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H

Weigh it out

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

Work with 8-Bromo-5-fluoroquinoline

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-Fluoro-8-quinolinol387-97-359 % similar 8-Bromoquinoline16567-18-355 % similar 1-Bromo-4-fluoronaphthalene341-41-355 % similar 5-Bromo-8-hydroxyquinoline1198-14-750 % similar 5-Bromo-8-quinolinamine53472-18-750 % similar 5-Bromo-1,10-phenanthroline40000-20-247 % similar 3-Bromo-2-fluoropyridine36178-05-947 % similar 2-Bromo-3-fluoropyridine40273-45-845 % similar

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

Elsewhere

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