2-Methylpyridine-3-boronic acid

C₆H₈BNO₂CAS 899436-71-6136.94 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₆H₈BNO₂
Molar mass: 136.94 g/mol
Exact mass: 137.0648 Da
logP: -0.93Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

899436-71-6

SMILES

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

InChIKey

TWKMYNQPIICYNV-UHFFFAOYSA-N

InChI

InChI=1S/C6H8BNO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4,9-10H,1H3

Weigh it out

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

Work with 2-Methylpyridine-3-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-Methoxypyridin-3-yl)boronic acid163105-90-659 % similar 2-Fluoropyridine-3-boronic acid174669-73-955 % similar (2-Chloropyridin-3-yl)boronic acid381248-04-055 % similar 2-Bromopyridin-3-ylboronic acid452972-08-655 % similar 2-Ethoxy-3-pyridineboronic acid854373-97-054 % similar 8-Quinolineboronic acid86-58-853 % similar Quinolin-5-ylboronic acid355386-94-652 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylpyridine-3-boronic acid148546-82-1 5-Methylpyridine-3-boronic acid173999-18-3 3-Aminophenylboronic acid30418-59-8 4-Methylpyridine-2-boronic acid372963-48-9 5-Methyl-2-pyridineboronic acid372963-49-0 6-Methylpyridine-2-boronic acid372963-50-3 (2-Aminophenyl)boronic acid5570-18-3 2-Methylpyridine-4-boronic acid579476-63-4

Elsewhere

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