2-Pyrrolylboronic acid

C₄H₆BNO₂CAS 763120-43-0110.91 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆BNO₂
Molar mass: 110.91 g/mol
Exact mass: 111.0492 Da
logP: -1.31Crippen estimate
Polar surface area: 56.3 Å²
H-bond donors / acceptors: 3 / 2
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

763120-43-0

SMILES

B(C1=CC=CN1)(O)O

InChIKey

WADSQZHEAXPENM-UHFFFAOYSA-N

InChI

InChI=1S/C4H6BNO2/c7-5(8)4-2-1-3-6-4/h1-3,6-8H

Weigh it out

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

Work with 2-Pyrrolylboronic 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-Pyrazole-5-boronic acid376584-63-339 % similar Indole-4-boronic acid220465-43-038 % similar Phenylboronic acid98-80-636 % similar 1,4-Benzenediboronic acid4612-26-435 % similar Dipyrrylmethane21211-65-435 % similar 1,3-Benzenediboronic acid4612-28-635 % similar 5-Indolylboronic acid144104-59-634 % similar 1H-Indol-6-ylboronic acid147621-18-934 % similar

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

Same formula

1H-Pyrrol-3-ylboronic acid763120-55-4

Elsewhere

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