chempirical

3-Chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1H)-pyridinone

C11H9ClN2O3CAS 536760-29-9252.65 g/mol

Open in Covalent MOL file
NOClN+OO−
AlkeneAmideLactamNitroVinyl halide

Properties

Molecular formula
C11H9ClN2O3
Molar mass
252.65 g/mol
Exact mass
252.0302 Da
logP
2.45Crippen estimate
Polar surface area
63.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
536760-29-9
SMILES
C1CN(C(=O)C(=C1)Cl)C2=CC=C(C=C2)[N+](=O)[O-]
InChIKey
DOUAPYNOGMHPFD-UHFFFAOYSA-N
InChI
InChI=1S/C11H9ClN2O3/c12-10-2-1-7-13(11(10)15)8-3-5-9(6-4-8)14(16)17/h2-6H,1,7H2

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Names and synonyms

1 names
  • 3-Chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one

Work with 3-Chloro-5,6-dihydro-1-(4-nitrophenyl)-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-(4-Morpholinyl)-1-(4-nitrophenyl)-5,6-dihydro-2(1H)-pyridinone503615-03-064 % similar 1-(4-Nitrophenyl)piperidin-2-one38560-30-450 % similar 3,3-Dichloro-1-(4-nitrophenyl)-2-piperidinone881386-01-246 % similar N-(4-Nitrophenyl)maleimide4338-06-146 % similar 1-(4-Nitrophenyl)piperidine6574-15-844 % similar 4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-144 % similar 4-(4-Nitrophenyl)morpholine10389-51-243 % similar 1-(4-Nitrophenyl)piperazine6269-89-243 % similar

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

Same formula

6-Acetoxy-4-chloro-7-methoxyquinazoline230955-75-6

Elsewhere

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