chempirical

(5-Chloro-2-fluoropyridin-4-yl)boronic acid

C5H4BClFNO2CAS 1034659-38-5175.35 g/mol

Open in Covalent MOL file
BNClFHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C5H4BClFNO2
Molar mass
175.35 g/mol
Exact mass
175.0008 Da
logP
-0.45Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
1034659-38-5
SMILES
B(C1=CC(=NC=C1Cl)F)(O)O
InChIKey
UTCNOKCGQCXVAK-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BClFNO2/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.

Work with (5-Chloro-2-fluoropyridin-4-yl)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

(3-Chloropyridin-4-yl)boronic acid458532-98-447 % similar B-(4-Chloro-3-pyridinyl)boronic acid452972-10-043 % similar (2,3-Dichlorophenyl)boronic acid151169-74-341 % similar B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid913835-86-641 % similar 2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid536693-96-640 % similar B-(6-Chloro-4-methyl-3-pyridinyl)boronic acid913836-08-539 % similar 2-Chloro-5-(trifluoromethoxy)phenylboronic acid1022922-16-239 % similar 2-Chloro-6-fluorophenylboronic acid313545-32-339 % similar

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

Elsewhere

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