2,6-Difluoro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine

C₁₁H₁₄BF₂NO₂CAS 1072945-00-6241.04 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₁H₁₄BF₂NO₂
Molar mass: 241.04 g/mol
Exact mass: 241.1086 Da
logP: 1.66Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1072945-00-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)F)F

InChIKey

CLDFZDCZPCIBKO-UHFFFAOYSA-N

InChI

InChI=1S/C11H14BF2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-6-8(13)15-9(7)14/h5-6H,1-4H3

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Names and synonyms

1 names

2,6-Difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Work with 2,6-Difluoro-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-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-458 % similar 5-Bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073353-50-047 % similar 2,6-Dichloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073371-78-446 % similar 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-046 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-041 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-840 % similar 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-840 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-240 % similar

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

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