Quinoline-3-boronic acid pinacolate

C₁₅H₁₈BNO₂CAS 171364-85-5255.12 g/mol

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Properties

Molecular formula: C₁₅H₁₈BNO₂
Molar mass: 255.12 g/mol
Exact mass: 255.1431 Da
logP: 2.53Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

171364-85-5

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3N=C2

InChIKey

ARRJAONCYUAPJR-UHFFFAOYSA-N

InChI

InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-9-11-7-5-6-8-13(11)17-10-12/h5-10H,1-4H3

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Names and synonyms

1 names

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

Work with Quinoline-3-boronic acid pinacolate

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

7-Azaindole-5-boronic acid pinacol ester754214-56-760 % similar 4,4,5,5-Tetramethyl-2-(naphthalen-2-yl)-1,3,2-dioxaborolane256652-04-759 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine1093819-50-156 % similar 3-Quinolineboronic acid191162-39-753 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-752 % similar Phenylboronic acid pinacol ester24388-23-651 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-051 % similar 2-(4-(tert-Butyl)naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2217657-10-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Isoquinolineboronic acid pinacol ester685103-98-4

Elsewhere

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