2-Pyridineboronic acid

C₅H₆BNO₂CAS 197958-29-5122.92 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆BNO₂
Molar mass: 122.92 g/mol
Exact mass: 123.0492 Da
logP: -1.24Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.4% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

197958-29-5

SMILES

B(C1=CC=CC=N1)(O)O

InChIKey

UMLDUMMLRZFROX-UHFFFAOYSA-N

InChI

InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H

Weigh it out

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

Names and synonyms

1 names

Pyridine-2-boronic acid

Work with 2-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

Pyridine-2-boronic acid dimethyl ester136805-54-448 % similar 4-Methylpyridine-2-boronic acid372963-48-947 % similar Pyridine-2-boronic acid pinacol ester874186-98-844 % similar 5-Methyl-2-pyridineboronic acid372963-49-043 % similar 6-Methylpyridine-2-boronic acid372963-50-343 % similar B-(6-Bromo-2-pyridinyl)boronic acid440680-34-243 % similar 5-Chloropyridine-2-boronic acid652148-91-943 % similar 2-Cyanopyridin-3-ylboronic acid874290-88-742 % similar

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

Same formula

Pyridine-4-boronic acid1692-15-5 Pyridin-3-ylboronic acid1692-25-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook