4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one

C13H13Cl2NO — CID 174893045

IUPAC4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one
SMILESCC1=C(C)C(c2cc(Cl)ccc2Cl)CC(=O)N1
InChIInChI=1S/C13H13Cl2NO/c1-7-8(2)16-13(17)6-10(7)11-5-9(14)3-4-12(11)15/h3-5,10H,6H2,1-2H3,(H,16,17)
InChIKeyUFCUEMNNFDEPMC-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.89
Rot. Bonds1

About 4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one

4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 174893045) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one
PubChem CID174893045
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one
SMILESCC1=C(C)C(c2cc(Cl)ccc2Cl)CC(=O)N1
InChIInChI=1S/C13H13Cl2NO/c1-7-8(2)16-13(17)6-10(7)11-5-9(14)3-4-12(11)15/h3-5,10H,6H2,1-2H3,(H,16,17)
InChIKeyUFCUEMNNFDEPMC-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 2764050
2-methylpropyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17312470
4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 15989737
cyclopentyl (4R)-4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7412803
4-(2,4-dichlorophenyl)piperidine-2,6-dione
CID 63156604
4-(2,4-dichlorophenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061326
4-amino-13-(2,5-dichlorophenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile
CID 45485501
(4R)-4-(2,4-dichlorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826052
(4R)-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 878755
2-phenoxyethyl (4S)-4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 41123508
7-chloro-4-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 138688043
ethyl (4R)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488606

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one (CID 174893045) is 4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one is CC1=C(C)C(c2cc(Cl)ccc2Cl)CC(=O)N1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is UFCUEMNNFDEPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-7-8(2)16-13(17)6-10(7)11-5-9(14)3-4-12(11)15/h3-5,10H,6H2,1-2H3,(H,16,17).
What are the key properties of 4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one?
4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 270.16 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-5,6-dimethyl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 174893045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).