B-(6-Bromo-2-pyridinyl)boronic acid

C₅H₅BBrNO₂CAS 440680-34-2201.81 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₅H₅BBrNO₂
Molar mass: 201.81 g/mol
Exact mass: 200.9597 Da
logP: -0.48Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

440680-34-2

SMILES

OB(O)c1cccc(Br)n1

InChIKey

AUOJYGQPHHRLAO-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BBrNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3,9-10H

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(6-bromo-2-pyridinyl)-
Boronic acid, (6-bromo-2-pyridinyl)-
(6-Bromo-2-pyridinyl)boronic acid
6-Bromo-2-pyridylboronic acid

Work with B-(6-Bromo-2-pyridinyl)boronic 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

2,6-Dibromopyridine626-05-154 % similar 6-Bromo-2(1H)-pyridinone27992-32-148 % similar 2-Bromo-6-chloropyridine5140-72-745 % similar 2-Amino-6-bromopyridine19798-81-343 % similar 2-Bromo-6-methylpyridine5315-25-343 % similar 6-Bromopyridine-2-carbonitrile122918-25-641 % similar 2-Bromo-6-phenylpyridine39774-26-041 % similar 6-Bromo-2-pyridinecarboxaldehyde34160-40-239 % similar

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

Elsewhere

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