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

C5H4BCl2NO2CAS 1072951-54-2191.80 g/mol

Open in Covalent MOL file
HOBHOClNCl
Aryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

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 3,5-Dichlorophenylboronic acid67492-50-652 % similar 2-Chloropyridine-5-boronic acid444120-91-648 % similar 2,6-Dimethyl-pyridine-4-boronic acid846548-44-548 % similar (3,4,5-Trichlorophenyl)boronic acid862248-93-948 % similar 2,6-Dichloropyridin-4-ol17228-74-948 % similar 2,4,6-Trichloropyridine16063-69-746 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 2,3-Dichloro-4-pyridineboronic acid951677-39-7

Elsewhere

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