3,5-Dibromo-2(1H)-pyridinone

C₅H₃Br₂NOCAS 13472-81-6252.89 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₅H₃Br₂NO
Molar mass: 252.89 g/mol
Exact mass: 250.8581 Da
Melting point: 207 °C
logP: 2.31Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed88.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

13472-81-6

SMILES

Oc1ncc(Br)cc1Br

InChIKey

XIFRODWVHSZAMM-UHFFFAOYSA-N

InChI

InChI=1S/C5H3Br2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)

Weigh it out

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

Names and synonyms

7 names

2(1H)-Pyridinone, 3,5-dibromo-
2(1H)-Pyridone, 3,5-dibromo-
3,5-Dibromo-2-pyridone
3,5-Dibromo-2-pyridinol
3,5-Dibromo-1H-pyridin-2-one
3,5-Dibromo-2-hydroxypyridine
3,5-Dibromo-1,2-dihydropyridin-2-one

Work with 3,5-Dibromo-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

5-Bromo-3-methyl-2(1H)-pyridinone89488-30-259 % similar 2,3,5-Tribromopyridine75806-85-856 % similar 5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone76041-79-753 % similar 3,5-Dibromo-2-pyridylamine35486-42-152 % similar 2-Chloro-3,5-dibromopyridine40360-47-252 % similar 3,5-Dibromo-2-fluoropyridine473596-07-552 % similar 3,5-Dibromo-2-methoxypyridine13472-60-152 % similar 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dibromopyridine 1-oxide2402-99-5 2,6-Dibromopyridin-3-ol6602-33-1

Elsewhere

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