3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C₁₁H₁₆BFN₂O₂CAS 944401-75-6238.07 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester Primary amine

Properties

Molecular formula: C₁₁H₁₆BFN₂O₂
Molar mass: 238.07 g/mol
Exact mass: 238.1289 Da
logP: 1.10Crippen estimate
Polar surface area: 57.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
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, 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

944401-75-6

SMILES

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

InChIKey

OAEDVIUUNHFXLJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H16BFN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(14)15-6-7/h5-6H,1-4H3,(H2,14,15)

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Work with 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

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-Amino-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester947249-01-668 % similar 2-Aminopyrimidine-5-boronic acid pinacol ester402960-38-757 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-055 % similar 2-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline819058-34-955 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-054 % similar 3-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine719268-92-553 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-650 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine1093819-50-149 % similar

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

Elsewhere

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