2,5-Dichloropyridine-4-boronic acid

C₅H₄BCl₂NO₂CAS 847664-64-6191.80 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

Warning

H302 Harmful if swallowed88.6% of notifiers
H315 Causes skin irritation13.6% of notifiers
H319 Causes serious eye irritation13.6% of notifiers
H335 May cause respiratory irritation11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

847664-64-6

SMILES

B(C1=CC(=NC=C1Cl)Cl)(O)O

InChIKey

BEJJMDOFMZCRST-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

(2,5-Dichloropyridin-4-yl)boronic acid

Work with 2,5-Dichloropyridine-4-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

(5-Chloro-2-fluoropyridin-4-yl)boronic acid1034659-38-565 % similar 6-Chloro-4-methylpyridine-3-boronic acid913836-08-558 % similar 2,4,5-Trichloropyridine55934-01-554 % similar (3-Chloropyridin-4-yl)boronic acid458532-98-448 % similar 2,4-Dichloro-5-methylpyridine56961-78-547 % similar 2,5-Dichlorobenzeneboronic acid135145-90-345 % similar 2-Chloropyridine-5-boronic acid444120-91-645 % similar 2-Chlorophenylboronic acid3900-89-845 % 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 2,3-Dichloro-4-pyridineboronic acid951677-39-7

Elsewhere

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