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

C₁₁H₁₄BBrFNO₂CAS 1073353-50-0301.95 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₁H₁₄BBrFNO₂
Molar mass: 301.95 g/mol
Exact mass: 301.0285 Da
logP: 2.28Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1073353-50-0

SMILES

CC1(C)OB(c2cc(Br)cnc2F)OC1(C)C

InChIKey

LSBZMTVRIRYRDL-UHFFFAOYSA-N

InChI

InChI=1S/C11H14BBrFNO2/c1-10(2)11(3,4)17-12(16-10)8-5-7(13)6-15-9(8)14/h5-6H,1-4H3

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Names and synonyms

1 names

Pyridine, 5-bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Work with 5-Bromo-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-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-454 % similar 2,6-Difluoro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine1072945-00-647 % similar 5-Bromo-2,3-difluoropyridine89402-44-845 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-244 % similar 3-Fluoropyridine-4-boronic acid pinacol ester458532-88-243 % similar 3-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-92-843 % similar 5-Bromo-3-chloro-2-fluoropyridine38185-56-743 % similar 1-(5-Bromo-2-fluoropyridin-3-yl)ethanone1111637-74-140 % similar

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

Elsewhere

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