chempirical

6-Bromo-5,7-difluoroquinoline

C9H4BrF2NCAS 1022091-49-1244.04 g/mol

Open in Covalent MOL file
NFBrF
Aryl halide

Properties

Molecular formula
C9H4BrF2N
Molar mass
244.04 g/mol
Exact mass
242.9495 Da
logP
3.28Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1022091-49-1
SMILES
C1=CC2=C(C(=C(C=C2N=C1)F)Br)F
InChIKey
DUAWZZRBLJDTQC-UHFFFAOYSA-N
InChI
InChI=1S/C9H4BrF2N/c10-8-6(11)4-7-5(9(8)12)2-1-3-13-7/h1-4H

Weigh it out

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

Names and synonyms

1 names
  • 5,7-Difluoro-6-bromoquinoline

Work with 6-Bromo-5,7-difluoroquinoline

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

3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-238 % similar 2,3-Difluoropyridine1513-66-236 % similar 2-Bromo-1,3-difluorobenzene64248-56-235 % similar 6-Fluoroquinoline396-30-535 % similar 7-Bromoquinoline4965-36-035 % similar 6-Bromoquinoline5332-25-235 % similar 1,5-Naphthyridine254-79-534 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-234 % similar

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

Elsewhere

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