2-Aminopyridine-4-boronic acid pinacol ester

C₁₁H₁₇BN₂O₂CAS 1195995-72-2220.08 g/mol

Open in Covalent MOL file

Boronic ester Primary amine

Properties

Molecular formula: C₁₁H₁₇BN₂O₂
Molar mass: 220.08 g/mol
Exact mass: 220.1383 Da
logP: 0.96Crippen estimate
Polar surface area: 57.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1195995-72-2

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)N

InChIKey

DCYKWKYBNWRLLZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3,(H2,13,14)

Weigh it out

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

Work with 2-Aminopyridine-4-boronic acid pinacol ester

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-Methylpyridine-4-boronic acid pinacol ester660867-80-164 % similar 2-Bromo-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine458532-82-662 % similar 2-Chloropyridine-4-boronic acid pinacol ester458532-84-862 % similar 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-062 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile741709-62-657 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-256 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-853 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline210907-84-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Methylpiperazin-1-yl)phenylboronic acid229009-40-9 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine827614-64-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook