4-(Pyridin-2-yl)aminocarbonylphenylboronic acid

C₁₂H₁₁BN₂O₃CAS 850568-25-1242.04 g/mol

Open in Covalent MOL file

Amide Boronic acid

Properties

Molecular formula: C₁₂H₁₁BN₂O₃
Molar mass: 242.04 g/mol
Exact mass: 242.0863 Da
logP: 0.01Crippen estimate
Polar surface area: 82.5 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation71.4% of notifiers
H319 Causes serious eye irritation71.4% of notifiers
H335 May cause respiratory irritation71.4% of notifiers
H341 Suspected of causing genetic defects14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

850568-25-1

SMILES

B(C1=CC=C(C=C1)C(=O)NC2=CC=CC=N2)(O)O

InChIKey

LEAZDTWQWNXKJM-UHFFFAOYSA-N

InChI

InChI=1S/C12H11BN2O3/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(17)18/h1-8,17-18H,(H,14,15,16)

Weigh it out

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

Work with 4-(Pyridin-2-yl)aminocarbonylphenylboronic 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

N-2-Pyridinyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide1383385-64-562 % similar 4-(Methylcarbamoyl)benzeneboronic acid121177-82-051 % similar 1-Benzoyl-3-(2-pyridyl)-2-thiourea4921-86-250 % similar 2,2-Dimethyl-N-pyridin-2-yl-propionamide86847-59-842 % similar 4-Carbamoylphenylboronic acid123088-59-541 % similar 4-Carboxyphenylboronic acid14047-29-141 % similar 3-(Methylcarbamoyl)benzeneboronic acid832695-88-241 % similar 4-Methoxycarbonylphenylboronic acid99768-12-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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