chempirical

2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C11H15BFNO2CAS 452972-14-4223.05 g/mol

Open in Covalent MOL file
OBNFO
Aryl halideBoronic ester

Properties

Molecular formula
C11H15BFNO2
Molar mass
223.05 g/mol
Exact mass
223.1180 Da
Melting point
37–45 °C
logP
1.52Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
452972-14-4
SMILES
CC1(C)OB(c2cccnc2F)OC1(C)C
InChIKey
YYOZFGQOPNTVGM-UHFFFAOYSA-N
InChI
InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3

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Names and synonyms

4 names
  • Pyridine, 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 2-(2-Fluoro-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 2-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
  • 2-Fluoropyridine-3-boronic acid pinacol ester

Work with 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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-Methylpyridine-3-boronic acid pinacol ester1012084-56-864 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-264 % similar 2,6-Difluoro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine1072945-00-658 % similar 5-Bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073353-50-054 % similar 1,1-Dimethylethyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate1072944-99-049 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-049 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-847 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-446 % similar

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

Same formula

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-0 3-Fluoropyridine-4-boronic acid pinacol ester458532-88-2

Elsewhere

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