(6-Ethoxypyridin-3-yl)boronic acid

C₇H₁₀BNO₃CAS 612845-44-0166.97 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 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

612845-44-0

SMILES

B(C1=CN=C(C=C1)OCC)(O)O

InChIKey

UONCERAQKBPLML-UHFFFAOYSA-N

InChI

InChI=1S/C7H10BNO3/c1-2-12-7-4-3-6(5-9-7)8(10)11/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-5-boronic Acid

Work with (6-Ethoxypyridin-3-yl)boronic 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

(6-Methoxypyridin-3-yl)boronic acid163105-89-362 % similar 6-Benzyloxypyridine-3-boronic acid929250-35-161 % similar B-[6-(1-Methylethoxy)-3-pyridinyl]boronic acid870521-30-557 % similar 4-Ethoxyphenylboronic acid22237-13-456 % similar 6-Ethoxypyridin-3-amine52025-34-053 % similar 5-Bromo-2-ethoxypyridine55849-30-453 % similar (6-Ethoxynaphthalen-2-yl)boronic acid352525-98-549 % similar 2-Methylpyridine-5-boronic acid659742-21-949 % similar

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

Same formula

2-Ethoxy-3-pyridineboronic acid854373-97-0

Elsewhere

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