2-Chloro-3-fluoropyridine-4-boronic acid

C₅H₄BClFNO₂CAS 937595-71-6175.35 g/mol

Open in Covalent MOL file

Aryl halide Boronic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

937595-71-6

SMILES

B(C1=C(C(=NC=C1)Cl)F)(O)O

InChIKey

ZXGCWGYBIXCFMP-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BClFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2,10-11H

Weigh it out

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

Work with 2-Chloro-3-fluoropyridine-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

2,3-Dichloro-4-pyridineboronic acid951677-39-763 % similar (2-Chloropyridin-3-yl)boronic acid381248-04-055 % similar (2,3-Difluorophenyl)boronic acid121219-16-752 % similar 2-Chloro-3-fluoro-4-iodopyridine148639-07-050 % similar 3-Chloro-2-fluorophenylboronic acid352535-82-150 % similar 2-Chloro-3-fluoro-4-methylpyridine881891-82-350 % similar 2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine628692-22-847 % similar 2-Chloro-3-fluoropyridine-4-carboxylic acid628691-93-046 % similar

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

Same formula

(5-Chloro-2-fluoropyridin-4-yl)boronic acid1034659-38-5 5-Chloro-2-fluoropyridine-3-boronic Acid937595-70-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook