(2-Methoxypyridin-3-yl)boronic acid

C₆H₈BNO₃CAS 163105-90-6152.94 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₆H₈BNO₃
Molar mass: 152.94 g/mol
Exact mass: 153.0597 Da
logP: -1.23Crippen estimate
Polar surface area: 62.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

163105-90-6

SMILES

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

InChIKey

NVOLYUXUHWBCRJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H8BNO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4,9-10H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Methoxypyridine-3-boronic acid

Work with (2-Methoxypyridin-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

2-Ethoxy-3-pyridineboronic acid854373-97-063 % similar 2-Methylpyridine-3-boronic acid899436-71-659 % similar B-(3-Chloro-2-methoxy-4-pyridinyl)boronic acid957060-88-758 % similar 2-Methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine532391-31-457 % similar 2,6-Dimethoxypyridine-3-boronic acid221006-70-854 % similar 2,3-Dimethoxypyridine52605-97-753 % similar 3-Bromo-2-methoxypyridine13472-59-852 % similar 2-Methoxy-3-pyridinamine20265-38-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(6-Methoxypyridin-3-yl)boronic acid163105-89-3 4-Methoxypyridine-3-boronic acid355004-67-0 2-Methoxypyridne-4-boronic acid762262-09-9 5-Methoxypyridine-3-boronic acid850991-69-4

Elsewhere

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