2-Amino-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester

C₁₂H₁₆BF₃N₂O₂CAS 947249-01-6288.08 g/mol

Open in Covalent MOL file

Alkyl halide Boronic ester Primary amine

Properties

Molecular formula: C₁₂H₁₆BF₃N₂O₂
Molar mass: 288.08 g/mol
Exact mass: 288.1257 Da
logP: 1.98Crippen estimate
Polar surface area: 57.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

947249-01-6

SMILES

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

InChIKey

OQZKROYNCVLJKM-UHFFFAOYSA-N

InChI

InChI=1S/C12H16BF3N2O2/c1-10(2)11(3,4)20-13(19-10)7-5-8(12(14,15)16)9(17)18-6-7/h5-6H,1-4H3,(H2,17,18)

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

Names and synonyms

1 names

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

Work with 2-Amino-3-(trifluoromethyl)pyridine-5-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

3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine944401-75-668 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine1084953-47-853 % similar 2-Aminopyrimidine-5-boronic acid pinacol ester402960-38-753 % similar 3,5-Bis(trifluoromethyl)phenylboronic acid pinacol ester69807-91-649 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-048 % similar 5-Bromo-3-(trifluoromethyl)pyridin-2-amine79456-34-148 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-646 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine1093819-50-146 % similar

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

Same formula

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinamine944401-57-4

Elsewhere

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