chempirical

2,6-Dichloropyridine-3-boronic acid

C5H4BCl2NO2CAS 148493-34-9191.80 g/mol

Open in Covalent MOL file
BNClClHOHO
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

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

2,6-Dichloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073371-78-450 % similar 2,3,6-Trichloropyridine6515-09-948 % similar 2-Chloroquinoline-3-boronic acid128676-84-647 % similar 2,6-Dichloro-3-pyridinamine62476-56-645 % similar 2,6-Dichloronicotinic acid38496-18-342 % similar 2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-941 % similar 2,6-Dichloro-3-(trifluoromethyl)pyridine55304-75-141 % similar B-(2,3,4-Trichlorophenyl)boronic acid352530-21-339 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook