2,6-Dichloropyridine-3-boronic acid

C₅H₄BCl₂NO₂CAS 148493-34-9191.80 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 swallowed22.2% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation77.8% of notifiers

Aggregated from 9 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

148493-34-9

SMILES

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

InChIKey

XBBLBQZAVMHEER-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2,6-Dichloropyridine-3-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

2-Chloro-6-methylpyridine-3-boronic acid536693-95-561 % similar 6-Chloro-2-methylpyridine-3-boronic acid913836-15-461 % similar 2,6-Dichloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073371-78-450 % similar (2-Chloropyridin-3-yl)boronic acid381248-04-050 % similar 2,3,6-Trichloropyridine6515-09-948 % similar 2-Chloroquinoline-3-boronic acid128676-84-647 % similar (2,6-Dichloro-3-pyridinyl)methanol55304-90-045 % similar 2,6-Dichloro-3-iodopyridine148493-37-245 % 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 (2,5-Dichloropyridin-3-yl)boronic acid536693-97-7 2,5-Dichloropyridine-4-boronic acid847664-64-6 2,3-Dichloro-4-pyridineboronic acid951677-39-7

Elsewhere

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