1-(5-Bromo-2-fluoropyridin-3-yl)ethanone

C7H5BrFNOCAS 1111637-74-1218.03 g/mol

Open in Covalent MOL file
ONBrF
Aryl halideKetone

Properties

Molecular formula
C7H5BrFNO
Molar mass
218.03 g/mol
Exact mass
216.9539 Da
logP
2.19Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1111637-74-1
SMILES
CC(=O)C1=C(N=CC(=C1)Br)F
InChIKey
NTEVXGZFBVJCAP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrFNO/c1-4(11)6-2-5(8)3-10-7(6)9/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 1-(5-Bromo-2-fluoropyridin-3-yl)ethan-1-one

Work with 1-(5-Bromo-2-fluoropyridin-3-yl)ethanone

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-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-562 % similar 3,5-Dibromo-2-fluoropyridine473596-07-553 % similar 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-353 % similar 1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-651 % similar 5-Bromo-2-fluoro-3-methylpyridine29312-98-950 % similar 3',5'-Dibromo-2'-hydroxyacetophenone22362-66-949 % similar 1-(4-Bromo-2-fluorophenyl)ethan-1-one625446-22-249 % similar 3-Acetyl-5-bromopyridine38940-62-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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