Indazole-5-boronic acid pinacol ester

C13H17BN2O2CAS 862723-42-0244.10 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 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-150 % 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

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 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

PubChem CAS Common Chemistry NIST WebBook