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

C11H16BNO2CAS 329214-79-1205.06 g/mol

Open in Covalent MOL file
BOON
Boronic ester

Properties

Molecular formula
C11H16BNO2
Molar mass
205.06 g/mol
Exact mass
205.1274 Da
logP
1.38Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
329214-79-1
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC=C2
InChIKey
XEMDFESAXKSEGI-UHFFFAOYSA-N
InChI
InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3

Weigh it out

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

Work with 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

Pyrimidine-5-boronic acid pinacol ester321724-19-061 % similar Phenylboronic acid pinacol ester24388-23-660 % similar 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine845885-86-158 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-858 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-155 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-054 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-653 % similar 2-Picoline-5-boronic acid pinacolate610768-32-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-2 Pyridine-2-boronic acid pinacol ester874186-98-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook