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

C₁₁H₁₅BFNO₂CAS 458532-86-0223.05 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₁H₁₅BFNO₂
Molar mass: 223.05 g/mol
Exact mass: 223.1180 Da
logP: 1.52Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed12.5% of notifiers
H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

458532-86-0

SMILES

CC1(C)OB(c2ccnc(F)c2)OC1(C)C

InChIKey

PCLMNCBIXQQRMB-UHFFFAOYSA-N

InChI

InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3

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

Names and synonyms

4 names

Pyridine, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
2-(2-Fluoropyridin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-Fluoropyridine-4-boronic acid pinacol ester
2-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Work with 2-Fluoro-4-(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-Methylpyridine-4-boronic acid pinacol ester660867-80-164 % similar 2-Aminopyridine-4-boronic acid pinacol ester1195995-72-262 % 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 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 N-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)acetamide1220220-21-256 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-0 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-4 3-Fluoropyridine-4-boronic acid pinacol ester458532-88-2 3-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine719268-92-5

Elsewhere

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