2-Methylpyridine-3-boronic acid pinacol ester

C12H18BNO2CAS 1012084-56-8219.09 g/mol

Open in Covalent MOL file
NBOO
Boronic ester

Properties

Molecular formula
C12H18BNO2
Molar mass
219.09 g/mol
Exact mass
219.1431 Da
logP
1.69Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
1012084-56-8
SMILES
Cc1ncccc1B1OC(C)(C)C(C)(C)O1
InChIKey
WXPRMDIXTKNFIG-UHFFFAOYSA-N
InChI
InChI=1S/C12H18BNO2/c1-9-10(7-6-8-14-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3

Weigh it out

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

Names and synonyms

6 names
  • Pyridine, 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
  • 2-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine
  • (2-Methylpyridin-3-yl)boronic acid pinacol ester
  • 2-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
  • 2-Methylpyridine-3-boronic acid, pinacol ester

Work with 2-Methylpyridine-3-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

2-Methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine532391-31-467 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-266 % similar 2-Chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine452972-11-164 % similar 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-464 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-054 % similar Pyridine-2-boronic acid pinacol ester874186-98-853 % similar 2-Methylpyridine-3-boronic acid899436-71-651 % similar 1,1-Dimethylethyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate1072944-99-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-8 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-8 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline210907-84-9 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-3 2-Picoline-5-boronic acid pinacolate610768-32-6 2-Methylpyridine-4-boronic acid pinacol ester660867-80-1

Elsewhere

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