chempirical

2-Bromo-1-ethylpyridinium tetrafluoroborate

C7H9BBrF4NCAS 878-23-9273.86 g/mol

Open in Covalent MOL file
N+BrFB−FFF
Aryl halide

Properties

Molecular formula
C7H9BBrF4N
Molar mass
273.86 g/mol
Exact mass
272.9948 Da
Melting point
102–104 °C
logP
3.06Crippen estimate
Polar surface area
3.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
878-23-9
SMILES
CC[n+]1ccccc1Br.F[B-](F)(F)F
InChIKey
YJDXVQLBIAJTHP-UHFFFAOYSA-N
InChI
InChI=1S/C7H9BrN.BF4/c1-2-9-6-4-3-5-7(9)8;2-1(3,4)5/h3-6H,2H2,1H3;/q+1;-1

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Names and synonyms

5 names
  • Pyridinium, 2-bromo-1-ethyl-, tetrafluoroborate(1-) (1:1)
  • Pyridinium, 2-bromo-1-ethyl-, tetrafluoroborate
  • Pyridinium, 2-bromo-1-ethyl-, tetrafluoroborate(1-)
  • Borate(1-), tetrafluoro-, 2-bromo-1-ethylpyridinium
  • BEP

Work with 2-Bromo-1-ethylpyridinium tetrafluoroborate

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

2-Ethyl-1,2-benzisoxazolium tetrafluoroborate4611-62-540 % similar 1-Ethylquinolinium iodide634-35-538 % similar Benzyltriethylammonium tetrafluoroborate77794-93-534 % similar 2-Bromopyridine N-oxide hydrochloride80866-91-733 % similar N-Fluoropyridinium tetrafluoroborate107264-09-531 % similar Diquat2764-72-931 % similar Tritylium tetrafluoroborate341-02-631 % similar

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

Elsewhere

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