Pyridine-4-boronic acid

C₅H₆BNO₂CAS 1692-15-5122.92 g/mol

Open in Covalent MOL file

Boronic acid

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

Warning

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation81.2% of notifiers
H319 Causes serious eye irritation81.2% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 16 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

1692-15-5

SMILES

B(C1=CC=NC=C1)(O)O

InChIKey

QLULGIRFKAWHOJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

(Pyridin-4-yl)boronic acid

Work with Pyridine-4-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

1,4-Benzenediboronic acid4612-26-461 % similar 4,4'-Biphenyldiboronic acid4151-80-852 % similar Phenylboronic acid98-80-652 % similar 4-Mercaptophenylboronic acid237429-33-352 % similar B-[4-(3-Pyridinyl)phenyl]boronic acid170230-28-148 % similar 2-Fluoropyridine-4-boronic acid401815-98-348 % similar (Pyrimidin-5-yl)boronic acid109299-78-748 % similar (4-Hydroxyphenyl)boronic acid71597-85-848 % similar

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

Same formula

Pyridin-3-ylboronic acid1692-25-7 2-Pyridineboronic acid197958-29-5

Elsewhere

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