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

C11H5Cl4NO — CID 133092529

IUPAC5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c[nH]1
InChIInChI=1S/C11H5Cl4NO/c12-5-1-7(11(15)8(13)2-5)6-3-10(17)16-4-9(6)14/h1-4H,(H,16,17)
InChIKeyHIRUPOLSFBOPAT-UHFFFAOYSA-N
MW308.98 g/mol
LogP4.66
Rot. Bonds1

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

5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one (PubChem CID 133092529) has the molecular formula C11H5Cl4NO and a molecular weight of 308.98 g/mol. Its IUPAC name is 5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one
PubChem CID133092529
Molecular FormulaC11H5Cl4NO
Molecular Weight308.98 g/mol
Exact Mass306.91
IUPAC Name5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c[nH]1
InChIInChI=1S/C11H5Cl4NO/c12-5-1-7(11(15)8(13)2-5)6-3-10(17)16-4-9(6)14/h1-4H,(H,16,17)
InChIKeyHIRUPOLSFBOPAT-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'}

Analyze 5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092530
5-fluoro-4-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092111
2-[6-oxo-5-(2,3,5-trichlorophenyl)-1H-pyridin-3-yl]acetic acid
CID 133092620
methyl 6-oxo-5-(2,3,5-trichlorophenyl)-1H-pyridine-3-carboxylate
CID 133092680
5-chloro-4-methyl-1H-pyridin-2-one
CID 46739797
2-oxo-5-(3,4,5-trichlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092325
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133092434
2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde
CID 134622694
3-chloro-2-(2,3,5-trichlorophenyl)aniline
CID 119002694
potassium;5-chloro-4-hydroxy-1H-pyridin-2-one;hydride
CID 175464848
methyl 6-oxo-3-(2,3,5-trichlorophenyl)-1H-pyridine-2-carboxylate
CID 133092682

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one (CID 133092529) is 5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one is O=c1cc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c[nH]1.
What is the InChIKey of 5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one?
The InChIKey is HIRUPOLSFBOPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4NO/c12-5-1-7(11(15)8(13)2-5)6-3-10(17)16-4-9(6)14/h1-4H,(H,16,17).
What are the key properties of 5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one?
5-chloro-4-(2,3,5-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-(2,3,5-trichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).