3-Bromo-4-pyridinol

C₅H₄BrNOCAS 36953-41-0174.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄BrNO
Molar mass: 174.00 g/mol
Exact mass: 172.9476 Da
Melting point: 229–230 °C
logP: 1.14Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

36953-41-0

SMILES

O=c1cc[nH]cc1Br

InChIKey

JWHZKNRXTDYNJO-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BrNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)

Weigh it out

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

Names and synonyms

3 names

4-Pyridinol, 3-bromo-
3-Bromo-4-hydroxypyridine
3-Bromo-1H-pyridin-4-one

Work with 3-Bromo-4-pyridinol

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

3-Fluoro-4-pyridinol22282-73-150 % similar 4-Hydroxy-3-pyridinesulfonic acid51498-37-444 % similar 3-Nitro-4-pyridinol5435-54-142 % similar 4-Hydroxynicotinic acid609-70-142 % similar 4-Pyridone108-96-335 % similar 4-Hydroxypyridine626-64-235 % similar 4,7-Dihydroxy-1,10-phenanthroline3922-40-533 % similar 3-Methylpyrrole616-43-333 % similar

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

Same formula

5-Bromo-2-hydroxypyridine13466-38-1 3-Bromo-2(1H)-pyridinone13466-43-8 4-Bromopyridine N-oxide14248-50-1 3-Bromopyridine oxide2402-97-3 6-Bromo-2(1H)-pyridinone27992-32-1 2-Bromo-3-pyridinol6602-32-0 5-Bromo-3-pyridinol74115-13-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook