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

C₇H₅BrFNOCAS 1111637-74-1218.03 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₇H₅BrFNO
Molar mass: 218.03 g/mol
Exact mass: 216.9539 Da
logP: 2.19Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

1-(5-Bromo-2-fluorophenyl)ethanone198477-89-353 % similar 1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-651 % similar 5-Bromo-2,3-difluoropyridine89402-44-849 % similar 5-Bromo-3-chloro-2-fluoropyridine38185-56-746 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-545 % similar 1-(3,5-Dibromophenyl)ethanone14401-73-143 % similar 1-(2-Bromo-5-fluorophenyl)ethanone1006-33-341 % similar 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-941 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook