Pyridine-3-boronic acid 1,3-propanediol cyclic ester

C₈H₁₀BNO₂CAS 131534-65-1162.98 g/mol

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Properties

Molecular formula: C₈H₁₀BNO₂
Molar mass: 162.98 g/mol
Exact mass: 163.0805 Da
logP: 0.21Crippen 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 irritation100% of notifiers

Aggregated from 4 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

131534-65-1

SMILES

B1(OCCCO1)C2=CN=CC=C2

InChIKey

ZUUZNOFTKGDLLN-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BNO2/c1-3-8(7-10-4-1)9-11-5-2-6-12-9/h1,3-4,7H,2,5-6H2

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Names and synonyms

1 names

3-(1,3,2-Dioxaborinan-2-yl)pyridine

Work with Pyridine-3-boronic acid 1,3-propanediol cyclic 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

3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine845885-86-160 % similar Pyridin-3-ylboronic acid1692-25-752 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine329214-79-151 % similar 3-(Diethylboryl)pyridine89878-14-847 % similar (3-(Pyridin-3-yl)phenyl)boronic acid351422-72-538 % similar 3-Pyridinemethanol100-55-038 % similar 3-Pyridinepropanol2859-67-838 % similar 3-Hydroxypyridine109-00-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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