chempirical

2,6-Difluoropyridine-3-boronic acid

C5H4BF2NO2CAS 136466-94-9158.90 g/mol

Open in Covalent MOL file
BNFFHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C5H4BF2NO2
Molar mass
158.90 g/mol
Exact mass
159.0303 Da
logP
-0.96Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
136466-94-9
SMILES
B(C1=C(N=C(C=C1)F)F)(O)O
InChIKey
LCCZTROJRJFXNV-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BF2NO2/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.

Names and synonyms

1 names
  • (2,6-Difluoropyridin-3-yl)boronic acid

Work with 2,6-Difluoropyridine-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-Difluoro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine1072945-00-651 % similar 2,3,6-Trifluoropyridine3512-18-350 % similar 2,4-Difluorophenylboronic acid144025-03-639 % similar B-(4-Fluoro-1-naphthalenyl)boronic acid182344-25-838 % similar [4-Bromo-2,3-difluorophenyl]boronic acid374790-99-538 % similar (3-Fluoropyridin-4-yl)boronic acid458532-97-338 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-837 % similar B-(2-Fluoro-4-iodophenyl)boronic acid374790-98-437 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook