3-Fluoropyridine-4-boronic acid pinacol ester

C11H15BFNO2CAS 458532-88-2223.05 g/mol

Open in Covalent MOL file
OBNFO
Aryl halideBoronic ester

Properties

Molecular formula
C11H15BFNO2
Molar mass
223.05 g/mol
Exact mass
223.1180 Da
Melting point
110–115 °C (sublimes)
logP
1.52Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
458532-88-2
SMILES
CC1(C)OB(c2ccncc2F)OC1(C)C
InChIKey
MLFGHAHGSVFKMI-UHFFFAOYSA-N
InChI
InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13/h5-7H,1-4H3

Weigh it out

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

Names and synonyms

6 names
  • Pyridine, 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
  • 3-Fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine
  • 2-(3-Fluoropyridin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
  • 3-Fluoro-4-pyridineboronic acid pinacol ester

Work with 3-Fluoropyridine-4-boronic acid pinacol ester

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-Chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine458532-90-662 % similar 3-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-92-862 % similar 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane876062-39-460 % similar 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-859 % similar 4-Chloropyridin-3-ylboronic acid, pinacol ester 98452972-15-558 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile878194-92-457 % similar 3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline819057-45-953 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-0 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-4 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-0 3-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine719268-92-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook