7-Azaindole-5-boronic acid pinacol ester

C₁₃H₁₇BN₂O₂CAS 754214-56-7244.10 g/mol

Open in Covalent MOL file

Boronic ester

Properties

Molecular formula: C₁₃H₁₇BN₂O₂
Molar mass: 244.10 g/mol
Exact mass: 244.1383 Da
logP: 1.86Crippen estimate
Polar surface area: 47.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed88.6% of notifiers
H312 Harmful in contact with skin86.4% of notifiers
H315 Causes skin irritation13.6% of notifiers
H319 Causes serious eye irritation13.6% of notifiers
H332 Harmful if inhaled86.4% of notifiers
H335 May cause respiratory irritation13.6% of notifiers

Aggregated from 44 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

754214-56-7

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NC=C3)N=C2

InChIKey

UOXAMYZTYZLSCC-UHFFFAOYSA-N

InChI

InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10/h5-8H,1-4H3,(H,15,16)

Weigh it out

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

Names and synonyms

1 names

5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo(2,3-b)pyridine

Work with 7-Azaindole-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

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine1093819-50-164 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole269410-24-462 % similar Quinoline-3-boronic acid pinacolate171364-85-560 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-051 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-650 % similar 2-Picoline-5-boronic acid pinacolate610768-32-650 % similar 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine944401-75-649 % similar 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-62-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole1007206-54-3 Indazole-5-boronic acid pinacol ester862723-42-0 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-7 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole915411-02-8 6-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole937049-58-6 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo(2,3-b)pyridine942919-26-8

Elsewhere

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