chempirical

5-Bromo-3-methyl-2(1H)-pyridinone

C6H6BrNOCAS 89488-30-2188.02 g/mol

Open in Covalent MOL file
BrNHO
Aryl halidePhenol

Properties

Molecular formula
C6H6BrNO
Molar mass
188.02 g/mol
Exact mass
186.9633 Da
Melting point
166–167 °C
logP
1.86Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
89488-30-2
SMILES
Cc1cc(Br)cnc1O
InChIKey
HXPMRPRBABWPKL-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)

Weigh it out

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

Names and synonyms

8 names
  • 2(1H)-Pyridinone, 5-bromo-3-methyl-
  • 2(1H)-Pyridone, 5-bromo-3-methyl-
  • 5-Bromo-2-hydroxy-3-methylpyridine
  • NSC 142314
  • 5-Bromo-3-methylpyridin-2-ol
  • 5-Bromo-3-methyl-2-hydroxypyridine
  • 5-Bromo-3-methylpyridin-2(1H)-one
  • 5-Bromo-3-methyl-1H-pyridin-2-one

Work with 5-Bromo-3-methyl-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

3,5-Dibromo-2(1H)-pyridinone13472-81-659 % similar 2,5-Dibromo-3-methylpyridine3430-18-059 % similar 5-Chloro-3-methyl-2(1H)-pyridinone58498-61-655 % similar 5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone76041-79-750 % similar 4-Bromo-2,6-dimethylphenol2374-05-248 % similar 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-447 % similar 5-Bromo-3-nitro-2(1H)-pyridinone15862-34-746 % similar 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-846 % similar

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

Same formula

3-Amino-4-bromophenol100367-37-1 4-Bromo-2-methoxypyridine100367-39-3 2-Bromo-5-methoxypyridine105170-27-2 2-Amino-3-bromophenol116435-77-9 (2-Bromopyridin-4-yl)methanol118289-16-0 (6-Bromo-pyridin-3-yl)-methanol122306-01-8 4-Bromo-2-pyridinemethanol131747-45-0 3-Bromo-2-methoxypyridine13472-59-8

Elsewhere

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