2-Ethoxy-3-pyridineboronic acid

C₇H₁₀BNO₃CAS 854373-97-0166.97 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₇H₁₀BNO₃
Molar mass: 166.97 g/mol
Exact mass: 167.0754 Da
logP: -0.84Crippen estimate
Polar surface area: 62.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

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

854373-97-0

SMILES

B(C1=C(N=CC=C1)OCC)(O)O

InChIKey

FXUMKSCYKPOZOO-UHFFFAOYSA-N

InChI

InChI=1S/C7H10BNO3/c1-2-12-7-6(8(10)11)4-3-5-9-7/h3-5,10-11H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-Ethoxypyridine-3-boronic acid

Work with 2-Ethoxy-3-pyridineboronic acid

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-Methoxypyridin-3-yl)boronic acid163105-90-663 % similar (2-Ethoxyphenyl)boronic acid213211-69-956 % similar 3-Bromo-2-ethoxypyridine57883-25-756 % similar 2-Methylpyridine-3-boronic acid899436-71-654 % similar 2-Ethoxynicotinic acid35969-54-150 % similar 3-Ethoxy-2-fluorophenylboronic acid855230-61-449 % similar 2-Fluoropyridine-3-boronic acid174669-73-946 % similar (2-Chloropyridin-3-yl)boronic acid381248-04-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(6-Ethoxypyridin-3-yl)boronic acid612845-44-0

Elsewhere

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