5-Fluoro-2-methoxypyridine-4-boronic acid

C6H7BFNO3CAS 1043869-98-2170.93 g/mol

Open in Covalent MOL file
BNFOHOHO
Aryl halideBoronic acidEther

Properties

Molecular formula
C6H7BFNO3
Molar mass
170.93 g/mol
Exact mass
171.0503 Da
logP
-1.09Crippen estimate
Polar surface area
62.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
1043869-98-2
SMILES
B(C1=CC(=NC=C1F)OC)(O)O
InChIKey
VGPMZARHJYGFSE-UHFFFAOYSA-N
InChI
InChI=1S/C6H7BFNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3,10-11H,1H3

Weigh it out

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Names and synonyms

1 names
  • (5-Fluoro-2-methoxypyridin-4-yl)boronic acid

Work with 5-Fluoro-2-methoxypyridine-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-Fluoro-5-methoxyphenylboronic acid406482-19-753 % similar (2-Fluoro-4-methoxyphenyl)boronic acid162101-31-749 % similar (6-Methoxypyridin-3-yl)boronic acid163105-89-347 % similar 2-Methoxypyridne-4-boronic acid762262-09-946 % similar (3,5-Difluoro-4-methoxyphenyl)boronic acid208641-98-945 % similar 2 6-Difluoro-4-methoxyphenylboronic acid406482-20-045 % similar 2,4,5-Trifluorophenylboronic acid247564-72-344 % similar 4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid875446-29-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Fluoro-6-methoxypyridine-3-boronic acid856250-60-7

Elsewhere

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