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

C12H8Cl3NO — CID 133091328

IUPAC6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C12H8Cl3NO/c1-6-2-3-7(12(17)16-6)8-4-10(14)11(15)5-9(8)13/h2-5H,1H3,(H,16,17)
InChIKeyWZSGWZQJCCIXCB-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.31
Rot. Bonds1

About 6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one

6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one (PubChem CID 133091328) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is 6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
PubChem CID133091328
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C12H8Cl3NO/c1-6-2-3-7(12(17)16-6)8-4-10(14)11(15)5-9(8)13/h2-5H,1H3,(H,16,17)
InChIKeyWZSGWZQJCCIXCB-UHFFFAOYSA-N
XLogP4.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2,3-dichlorophenyl)-2-methylacryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5726173
N-tert-butyl-2-(3,4-dichlorophenyl)acetamide
CID 2171626
N-tert-butyl-3,4-dichlorobenzamide
CID 790280
5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 70695096
3-(2,4-dichlorophenyl)-6-trifluoromethyl-2(1H)-pyridone
CID 15457186
3-(2,4-dichlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54719906
4-hydroxy-3-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 118991886
4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 119003936
5-fluoro-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091302
3-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133091409
3-(2,4,5-Trichlorophenyl)-6-(trifluoromethyl)pyridin-2(1H)-one
CID 133091410
4-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091413

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one (CID 133091328) is 6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one is Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
The InChIKey is WZSGWZQJCCIXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c1-6-2-3-7(12(17)16-6)8-4-10(14)11(15)5-9(8)13/h2-5H,1H3,(H,16,17).
What are the key properties of 6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one has a molecular weight of 288.56 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 133091328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).