Indazole-5-boronic acid pinacol ester

C₁₃H₁₇BN₂O₂CAS 862723-42-0244.10 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

862723-42-0

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3

InChIKey

SAGPUUKLGWNGOS-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1H-Indazole-5-boronic acid pinacol ester

Work with Indazole-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]pyridine1093819-50-163 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole269410-24-460 % similar 1H-Indazole-5-boronic acid338454-14-155 % similar 4,4,5,5-Tetramethyl-2-(naphthalen-2-yl)-1,3,2-dioxaborolane256652-04-754 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-carbazole855738-89-550 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran519054-55-849 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-849 % similar Quinoline-3-boronic acid pinacolate171364-85-548 % 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 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

Elsewhere

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