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

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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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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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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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