3-Bromo-2(1H)-pyridinone

C₅H₄BrNOCAS 13466-43-8174.00 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₅H₄BrNO
Molar mass: 174.00 g/mol
Exact mass: 172.9476 Da
logP: 1.55Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed89.1% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage87% of notifiers
H319 Causes serious eye irritation13% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13466-43-8

SMILES

Oc1ncccc1Br

InChIKey

YDUGVOUXNSWQSW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

2(1H)-Pyridinone, 3-bromo-
2(1H)-Pyridone, 3-bromo-
3-Bromo-2(1H)-pyridone
3-Bromo-2-pyridone
3-Bromo-2-hydroxypyridine
3-Bromo-2-pyridinone
3-Bromopyridin-2-ol
3-Bromo-2-oxo-1,2-dihydropyridine
3-Bromo-1,2-dihydropyridin-2-one
3-Bromo-1H-pyridin-2-one

Work with 3-Bromo-2(1H)-pyridinone

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

2,3-Dihydroxypyridine16867-04-256 % similar 2,3-Pyridinediol84719-32-456 % similar 5-Bromo-1(2H)-isoquinolinone190777-77-655 % similar 5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-055 % similar 2,3-Dibromopyridine13534-89-952 % similar 2-Hydroxy-3-methylpyridine1003-56-152 % similar 3-Amino-2(1H)-pyridinone33630-99-852 % similar 3-Bromo-2-methoxypyridine13472-59-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-hydroxypyridine13466-38-1 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 3-Bromo-4-pyridinol36953-41-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook