1H-Pyrrolo[2,3-B]pyridin-5-ylboronic acid

C₇H₇BN₂O₂CAS 944059-24-9161.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇BN₂O₂
Molar mass: 161.96 g/mol
Exact mass: 162.0601 Da
logP: -0.81Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 3 / 3
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

944059-24-9

SMILES

OB(O)c1c[nH]c2nccc-2c1

InChIKey

KCHKRCSVKZQYCA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

B-1H-Pyrrolo[2,3-B]pyridin-5-ylboronic acid
Boronic acid, B-1H-pyrrolo[2,3-b]pyridin-5-yl-
(1H-Pyrrolo[2,3-b]pyridin-5-yl)boronic acid

Work with 1H-Pyrrolo[2,3-B]pyridin-5-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

1H-Pyrrolo[2,3-b]pyridin-5-ol98549-88-355 % similar 5-Bromo-1H-pyrrolo[2,3-b]pyridine183208-35-750 % similar 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid754214-42-146 % similar 2-Bromopyridin-4-ylboronic acid458532-94-046 % similar 2-Fluoropyridine-4-boronic acid401815-98-343 % similar B-(6-Amino-3-pyridinyl)boronic acid851524-96-443 % similar B-(2-Chloro-4-pyridinyl)boronic acid458532-96-242 % similar 2-Methylpyridine-4-boronic acid579476-63-442 % similar

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

Same formula

1H-Indazole-5-boronic acid338454-14-1 6-Indazolyboronic acid885068-10-0 [Imidazo[1,2-a]pyridin-6-yl]boronic acid913835-63-9

Elsewhere

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