2,6-Difluoro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine

C₁₁H₁₄BF₂NO₂CAS 1072945-00-6241.04 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₁H₁₄BF₂NO₂
Molar mass: 241.04 g/mol
Exact mass: 241.1086 Da
logP: 1.66Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% 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+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1072945-00-6

SMILES

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

InChIKey

CLDFZDCZPCIBKO-UHFFFAOYSA-N

InChI

InChI=1S/C11H14BF2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-6-8(13)15-9(7)14/h5-6H,1-4H3

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Names and synonyms

1 names

2,6-Difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Work with 2,6-Difluoro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine

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-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-458 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-054 % similar 2,6-Difluoropyridine-3-boronic acid136466-94-951 % similar 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane876062-39-447 % similar 4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole934365-16-947 % similar 5-Bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073353-50-047 % similar 2,6-Dichloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073371-78-446 % similar 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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