5-Indolylboronic acid

C₈H₈BNO₂CAS 144104-59-6160.97 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈BNO₂
Molar mass: 160.97 g/mol
Exact mass: 161.0648 Da
logP: -0.15Crippen estimate
Polar surface area: 56.3 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 48 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

144104-59-6

SMILES

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

InChIKey

VHADYSUJZAPXOW-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BNO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10-12H

Weigh it out

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

Work with 5-Indolylboronic 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

5-Hydroxyindole1953-54-453 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole269410-24-453 % similar 1H-Indazole-5-boronic acid338454-14-152 % similar 5-Methylindole614-96-050 % similar Indole-5-methanol1075-25-848 % similar 5-Bromoindole10075-50-048 % similar 5-Iodo-1H-indole16066-91-448 % similar 5-Chloroindole17422-32-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Indol-6-ylboronic acid147621-18-9 Indole-4-boronic acid220465-43-0 3-Cyanomethylphenylboronic acid220616-39-7 4-(Cyanomethyl)benzeneboronic acid91983-26-5

Elsewhere

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