2,3-Dichloro-4-pyridineboronic acid

C₅H₄BCl₂NO₂CAS 951677-39-7191.80 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

951677-39-7

SMILES

B(C1=C(C(=NC=C1)Cl)Cl)(O)O

InChIKey

ABRTZUPJNVJMHP-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

2,3-Dichloropyridine-4-boronic Acid (contains varying amounts of Anhydride)

Work with 2,3-Dichloro-4-pyridineboronic 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

2-Chloro-3-fluoropyridine-4-boronic acid937595-71-663 % similar (2-Chloropyridin-3-yl)boronic acid381248-04-058 % similar B-(3-Chloro-2-methoxy-4-pyridinyl)boronic acid957060-88-757 % similar (2,3-Dichlorophenyl)boronic acid151169-74-347 % similar B-(2,3,4-Trichlorophenyl)boronic acid352530-21-347 % similar (3-Chloropyridin-4-yl)boronic acid458532-98-444 % similar (2-Chloro-3-fluorophenyl)boronic acid871329-52-144 % similar 2,3-Dichloropyridine-4-carboxylic acid184416-84-043 % similar

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

Same formula

B-(2,6-Dichloro-4-pyridinyl)boronic acid1072951-54-2 2,6-Dichloropyridine-3-boronic acid148493-34-9 (2,5-Dichloropyridin-3-yl)boronic acid536693-97-7 2,5-Dichloropyridine-4-boronic acid847664-64-6

Elsewhere

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