3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine

C10H14BNO2CAS 845885-86-1191.04 g/mol

Open in Covalent MOL file
OBNO
Boronic ester

Properties

Molecular formula
C10H14BNO2
Molar mass
191.04 g/mol
Exact mass
191.1118 Da
logP
0.85Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
845885-86-1
SMILES
CC1(C)COB(c2cccnc2)OC1
InChIKey
QMEKTOQBDDVVBE-UHFFFAOYSA-N
InChI
InChI=1S/C10H14BNO2/c1-10(2)7-13-11(14-8-10)9-4-3-5-12-6-9/h3-6H,7-8H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Pyridine, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
  • 5,5-Dimethyl-2-(pyridin-3-yl)-1,3,2-dioxaborinane
  • Pyridine-3-boronic acid neopentyl glycol ester
  • 5,5-Dimethyl-2-(3-pyridyl)-1,3,2-dioxaborinane

Work with 3-(5,5-Dimethyl-1,3,2-dioxaborinan-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

(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzene5123-13-764 % similar Pyridine-3-boronic acid 1,3-propanediol cyclic ester131534-65-160 % similar 2,2′-(1,4-Phenylene)bis[5,5-dimethyl-1,3,2-dioxaborinane]5565-36-659 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine329214-79-158 % similar 3-(Diethylboryl)pyridine89878-14-846 % similar Pyridin-3-ylboronic acid1692-25-746 % similar 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile214360-47-143 % similar 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole68981-86-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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