1H-Pyrrol-3-ylboronic acid

C₄H₆BNO₂CAS 763120-55-4110.91 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

763120-55-4

SMILES

B(C1=CNC=C1)(O)O

InChIKey

ZITITTQOWAPHDT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Pyrrolylboronic acid

Work with 1H-Pyrrol-3-ylboronic 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

1,4-Benzenediboronic acid4612-26-448 % similar B-(6-Amino-3-pyridinyl)boronic acid851524-96-445 % similar p-Tolylboronic acid5720-05-842 % similar 4,4'-Biphenyldiboronic acid4151-80-842 % similar Phenylboronic acid98-80-642 % similar 1,3-Benzenediboronic acid4612-28-640 % similar 1H-Pyrazole-4-boronic acid763120-58-739 % similar 5-Indolylboronic acid144104-59-639 % similar

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

Same formula

2-Pyrrolylboronic acid763120-43-0

Elsewhere

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