3-Bromo-4-pyridinol

C5H4BrNOCAS 36953-41-0174.00 g/mol

Open in Covalent MOL file
ONHBr
Aryl halide

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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Chloro-4-hydroxypyridine89284-20-852 % similar 3-Methyl-4-hydroxypyridine22280-02-050 % similar 3-Fluoro-4-pyridinol22282-73-150 % similar 3-Aminopyridin-4-ol6320-39-450 % similar 4-Hydroxy-3-pyridinesulfonic acid51498-37-444 % similar 3-Nitro-4-pyridinol5435-54-142 % similar 4-Hydroxynicotinic acid609-70-142 % similar 4-Hydroxypyridine108-96-335 % 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 4-Bromopyridin-3-ol161417-28-3 3-Bromopyridine oxide2402-97-3 6-Bromo-2(1H)-pyridinone27992-32-1 4-Bromopyridin-2-ol36953-37-4 2-Bromo-4-hydroxypyridine36953-40-9

Elsewhere

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