B-(2,6-Dichloro-4-pyridinyl)boronic acid

C₅H₄BCl₂NO₂CAS 1072951-54-2191.80 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₅H₄BCl₂NO₂
Molar mass: 191.80 g/mol
Exact mass: 190.9712 Da
logP: 0.07Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

1072951-54-2

SMILES

OB(O)c1cc(Cl)nc(Cl)c1

InChIKey

JFUQZFQJFYZZGY-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BCl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2,10-11H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Boronic acid, B-(2,6-dichloro-4-pyridinyl)-
2,6-Dichloropyridin-4-ylboronic acid
2,6-Dichloropyridine-4-boronic acid

Work with B-(2,6-Dichloro-4-pyridinyl)boronic acid

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

B-(2-Chloro-4-pyridinyl)boronic acid458532-96-257 % similar 2,6-Dichloro-4-pyridinol17228-74-948 % similar 2,4,6-Trichloropyridine16063-69-746 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-444 % similar 2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-344 % similar 2,6-Dichloro-4-pyridinemethanol101990-69-643 % similar 2,4,6-Trichloropyrimidine3764-01-042 % similar 3,5-Dibromobenzeneboronic acid117695-55-341 % similar

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

Same formula

2,6-Dichloropyridine-3-boronic acid148493-34-9

Elsewhere

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