chempirical

5-Chloro-2(1H)-pyrimidinone

C4H3ClN2OCAS 54326-16-8130.53 g/mol

Open in Covalent MOL file
HONClN
Aryl halidePhenol

Properties

Molecular formula
C4H3ClN2O
Molar mass
130.53 g/mol
Exact mass
129.9934 Da
Melting point
237–238 °C (decomposes)
logP
0.84Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
54326-16-8
SMILES
Oc1ncc(Cl)cn1
InChIKey
OCSYCDVQABSEPJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)

Weigh it out

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

Names and synonyms

7 names
  • 2(1H)-Pyrimidinone, 5-chloro-
  • 2-Pyrimidinol, 5-chloro-
  • 5-Chloropyrimidin-2-one
  • NY 3000
  • 5-Chloro-2-hydroxypyrimidine
  • 2-Oxo-5-chloropyrimidine
  • 5-Chloro-2-pyrimidone

Work with 5-Chloro-2(1H)-pyrimidinone

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

2,5-Dichloropyrimidine22536-67-055 % similar 5-Chloro-2(1H)-pyridinone4214-79-348 % similar 2-Bromo-5-chloropyrimidine124405-67-048 % similar 5-Bromo-2-pyrimidinol214290-49-048 % similar 5-Bromo-2(1H)-pyrimidinone38353-06-948 % similar 5-Chlorouracil1820-81-144 % similar 3,5-Dichloro-2(1H)-pyridinone5437-33-244 % similar 5-Chloro-2-fluoropyridine1480-65-542 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook