5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one

C12H9Cl2NO — CID 133092874

IUPAC5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c1-7-2-12(16)15-6-11(7)8-3-9(13)5-10(14)4-8/h2-6H,1H3,(H,15,16)
InChIKeyXFPUDQOZYIHDEX-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.66
Rot. Bonds1

About 5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one

5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one (PubChem CID 133092874) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one
PubChem CID133092874
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c1-7-2-12(16)15-6-11(7)8-3-9(13)5-10(14)4-8/h2-6H,1H3,(H,15,16)
InChIKeyXFPUDQOZYIHDEX-UHFFFAOYSA-N
XLogP3.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-4-methyl-1H-pyridin-2-one
CID 46739797
4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen
CID 145360200
3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one
CID 133092886
4-(3,4-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092863
5-(chloromethyl)-4-methyl-1H-pyridin-2-one
CID 102545705
2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one
CID 118802676
5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one
CID 133092529
2-oxo-5-(3,4,5-trichlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092325
5-(3-chloro-5-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 53222344
4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133092434
5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one
CID 130855583
[4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone
CID 145471111

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one (CID 133092874) is 5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is XFPUDQOZYIHDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c1-7-2-12(16)15-6-11(7)8-3-9(13)5-10(14)4-8/h2-6H,1H3,(H,15,16).
What are the key properties of 5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one?
5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one has a molecular weight of 254.12 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 133092874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).