4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C12H18BNO2CAS 1171891-31-8219.09 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 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1171891-31-8
SMILES
Cc1ccncc1B1OC(C)(C)C(C)(C)O1
InChIKey
GZYZXNXJTPRMKF-UHFFFAOYSA-N
InChI
InChI=1S/C12H18BNO2/c1-9-6-7-14-8-10(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

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

Work with 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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

4-Chloropyridin-3-ylboronic acid, pinacol ester 98452972-15-564 % similar 3-Fluoropyridine-4-boronic acid pinacol ester458532-88-259 % similar 3-Chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine458532-90-659 % similar 3-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-92-859 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-059 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile878194-92-455 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-253 % similar 4-Methylpyridine-3-boronic acid148546-82-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylpyridine-3-boronic acid pinacol ester1012084-56-8 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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