6-Indazolyboronic acid

C₇H₇BN₂O₂CAS 885068-10-0161.95 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 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

885068-10-0

SMILES

B(C1=CC2=C(C=C1)C=NN2)(O)O

InChIKey

ZKNLCHWRWRYPGG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1H-Indazole-6-boronic acid

Work with 6-Indazolyboronic 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

6-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole937049-58-655 % similar 6-Bromoindazole79762-54-253 % similar 1H-Indol-6-ylboronic acid147621-18-952 % similar 6-Fluoro-1H-indazole348-25-452 % similar (1H-Indazol-6-yl)methanol916902-55-151 % similar 1H-Indazole-6-carboxylic acid704-91-647 % similar 6-Methoxy-1H-indazole3522-07-447 % similar 1H-Indazole-6-carbaldehyde669050-69-547 % similar

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

Same formula

1H-Indazole-5-boronic acid338454-14-1 [Imidazo[1,2-a]pyridin-6-yl]boronic acid913835-63-9 1H-Pyrrolo[2,3-B]pyridin-5-ylboronic acid944059-24-9

Elsewhere

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