1H-Indazole-5-boronic acid

C₇H₇BN₂O₂CAS 338454-14-1161.95 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇BN₂O₂
Molar mass: 161.95 g/mol
Exact mass: 162.0601 Da
logP: -0.76Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

338454-14-1

SMILES

B(C1=CC2=C(C=C1)NN=C2)(O)O

InChIKey

CLVPGJWAMIADSY-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BN2O2/c11-8(12)6-1-2-7-5(3-6)4-9-10-7/h1-4,11-12H,(H,9,10)

Weigh it out

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

Work with 1H-Indazole-5-boronic acid

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

1H-Indazol-5-ol15579-15-456 % similar Indazole-5-boronic acid pinacol ester862723-42-055 % similar 5-Indolylboronic acid144104-59-652 % similar 5-Methyl-1H-indazole1776-37-052 % similar 1H-Indazol-5-amine19335-11-652 % similar 5-Fluoro-1H-indazole348-26-552 % similar 5-Bromo-1H-indazole53857-57-152 % similar 5-Iodo-1H-indazole55919-82-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Indazolyboronic acid885068-10-0 [Imidazo[1,2-a]pyridin-6-yl]boronic acid913835-63-9 B-1H-Pyrrolo[2,3-b]pyridin-5-ylboronic acid944059-24-9

Elsewhere

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