3-Methoxypyridine-5-boronic acid pinacol ester

C₁₂H₁₈BNO₃CAS 445264-60-8235.09 g/mol

Open in Covalent MOL file

Boronic ester Ether

Properties

Molecular formula: C₁₂H₁₈BNO₃
Molar mass: 235.09 g/mol
Exact mass: 235.1380 Da
logP: 1.39Crippen estimate
Polar surface area: 40.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

445264-60-8

SMILES

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

InChIKey

HENXUFOAGXNWKH-UHFFFAOYSA-N

InChI

InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-10(15-5)8-14-7-9/h6-8H,1-5H3

Weigh it out

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

Names and synonyms

1 names

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

Work with 3-Methoxypyridine-5-boronic acid pinacol 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

2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-559 % similar 3-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine719268-92-559 % similar 3-Chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine865186-94-359 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-757 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine1084953-47-856 % similar Pyrimidine-5-boronic acid pinacol ester321724-19-056 % similar 5-Methoxypyridine-3-boronic acid850991-69-456 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile402718-29-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one1002309-52-5 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine445264-61-9 2-Methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine532391-31-4

Elsewhere

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