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

C11H5Cl4NO — CID 133092530

IUPAC5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c[nH]1
InChIInChI=1S/C11H5Cl4NO/c12-6-1-2-7(13)11(15)10(6)5-3-9(17)16-4-8(5)14/h1-4H,(H,16,17)
InChIKeyXCKKTTGYEPUDIG-UHFFFAOYSA-N
MW308.98 g/mol
LogP4.66
Rot. Bonds1

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

5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one (PubChem CID 133092530) has the molecular formula C11H5Cl4NO and a molecular weight of 308.98 g/mol. Its IUPAC name is 5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
PubChem CID133092530
Molecular FormulaC11H5Cl4NO
Molecular Weight308.98 g/mol
Exact Mass306.91
IUPAC Name5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c[nH]1
InChIInChI=1S/C11H5Cl4NO/c12-6-1-2-7(13)11(15)10(6)5-3-9(17)16-4-8(5)14/h1-4H,(H,16,17)
InChIKeyXCKKTTGYEPUDIG-UHFFFAOYSA-N
XLogP4.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.98
LogP ≤ 54.66
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

5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one
CID 133092529
5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092539
5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092614
5-(hydroxymethyl)-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092649
5-fluoro-4-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092111
4-(3,4-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092863
5-chloro-4-methyl-1H-pyridin-2-one
CID 46739797
3,4,5-trichlorofluoren-9-one
CID 82579530
5-chloro-2H-isoquinolin-3-one
CID 67521260
4,5-dichloroisoindole-1,3-dione
CID 14948820
potassium;5-chloro-4-hydroxy-1H-pyridin-2-one;hydride
CID 175464848
6-methyl-2-oxo-4-(2,3,6-trichlorophenyl)-1H-pyridine-3-carbonitrile
CID 168586700

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one (CID 133092530) is 5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one is O=c1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c[nH]1.
What is the InChIKey of 5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
The InChIKey is XCKKTTGYEPUDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4NO/c12-6-1-2-7(13)11(15)10(6)5-3-9(17)16-4-8(5)14/h1-4H,(H,16,17).
What are the key properties of 5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one has a molecular weight of 308.98 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).