5-Bromo-2-fluoropyridine-3-boronic Acid (contains varying amounts of Anhydride)

C5H4BBrFNO2CAS 501435-91-2219.80 g/mol

Open in Covalent MOL file
BNFBrHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C5H4BBrFNO2
Molar mass
219.80 g/mol
Exact mass
218.9502 Da
logP
-0.34Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
501435-91-2
SMILES
B(C1=CC(=CN=C1F)Br)(O)O
InChIKey
YAXKWQSQZIVTFC-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BBrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H

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Names and synonyms

1 names
  • 5-Bromo-2-fluoro-3-pyridylboronic acid

Work with 5-Bromo-2-fluoropyridine-3-boronic Acid (contains varying amounts of Anhydride)

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

5-Chloro-2-fluoropyridine-3-boronic Acid937595-70-559 % similar 5-Bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073353-50-054 % similar 3,5-Dibromo-2-fluoropyridine473596-07-553 % similar 5-Bromo-2,3-difluoropyridine89402-44-853 % similar 5-Bromo-2-fluoro-3-methylpyridine29312-98-950 % similar 5-Bromo-3-chloro-2-fluoropyridine38185-56-750 % similar (5-Bromo-2-fluorophenyl)boronic acid112204-57-649 % similar 5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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