chempirical

2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate

C10H16BF4N3O2CAS 125700-71-2297.06 g/mol

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Properties

Molecular formula
C10H16BF4N3O2
Molar mass
297.06 g/mol
Exact mass
297.1272 Da
logP
0.77Crippen estimate
Polar surface area
37.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
125700-71-2
SMILES
[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C=CC=CC1=O
InChIKey
CZQGINAUZYECAI-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N3O2.BF4/c1-11(2)10(12(3)4)15-13-8-6-5-7-9(13)14;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1

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Names and synonyms

1 names
  • O-(2-Oxo-1(2H)-pyridyl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate

Work with 2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium 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

N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate125700-69-855 % similar 2-(2,5-Dioxopyrrolidin-1-yl)-1,1,3,3-tetramethylisouronium tetrafluoroborate105832-38-041 % similar O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate125700-67-636 % similar 2-(5-Norborene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium tetrafluoroborate125700-73-435 % similar

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

Elsewhere

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