4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo(2,3-b)pyridine

C13H17BN2O2CAS 942919-26-8244.10 g/mol

Open in Covalent MOL file
BOONHN
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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
942919-26-8
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CNC3=NC=C2
InChIKey
OYFHAWAVFVJOBN-UHFFFAOYSA-N
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-8-16-11-9(10)5-7-15-11/h5-8H,1-4H3,(H,15,16)

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

Names and synonyms

1 names
  • 1H-Pyrrolo[2,3-B]pyridine, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Work with 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo(2,3-b)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

Indole-4-boronic acid pinacol ester388116-27-656 % similar 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-946 % similar 4-Methyl-1H-pyrrolo(2,3-b)pyridine824-24-846 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-844 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-244 % similar 2-Chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine452972-11-143 % similar 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-443 % similar 3-Fluoropyridine-4-boronic acid pinacol ester458532-88-243 % 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 7-Azaindole-5-boronic acid pinacol ester754214-56-7 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

Elsewhere

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