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

C₁₄H₂₂BNO₃CAS 871839-91-7263.14 g/mol

Open in Covalent MOL file

Boronic ester Ether

Properties

Molecular formula: C₁₄H₂₂BNO₃
Molar mass: 263.14 g/mol
Exact mass: 263.1693 Da
logP: 2.17Crippen estimate
Polar surface area: 40.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

871839-91-7

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC(C)C

InChIKey

WCAIJTJWLUYXIW-UHFFFAOYSA-N

InChI

InChI=1S/C14H22BNO3/c1-10(2)17-12-8-7-11(9-16-12)15-18-13(3,4)14(5,6)19-15/h7-10H,1-6H3

Weigh it out

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Work with 2-Isopropoxy-5-(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

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine445264-61-966 % similar B-[6-(1-Methylethoxy)-3-pyridinyl]boronic acid870521-30-563 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-058 % similar 2-Picoline-5-boronic acid pinacolate610768-32-656 % similar 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-62-055 % similar 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine444120-94-955 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-63-751 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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