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

C12H9Cl2NO — CID 133092468

IUPAC4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one
SMILESCc1cc(-c2cc(Cl)ccc2Cl)cc(=O)[nH]1
InChIInChI=1S/C12H9Cl2NO/c1-7-4-8(5-12(16)15-7)10-6-9(13)2-3-11(10)14/h2-6H,1H3,(H,15,16)
InChIKeyQEXBTWQMZHNFFK-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.66
Rot. Bonds1

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

4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one (PubChem CID 133092468) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one
PubChem CID133092468
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one
SMILESCc1cc(-c2cc(Cl)ccc2Cl)cc(=O)[nH]1
InChIInChI=1S/C12H9Cl2NO/c1-7-4-8(5-12(16)15-7)10-6-9(13)2-3-11(10)14/h2-6H,1H3,(H,15,16)
InChIKeyQEXBTWQMZHNFFK-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

Analyze 4-(2,5-dichlorophenyl)-6-methyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one (CID 133092468) is 4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one is Cc1cc(-c2cc(Cl)ccc2Cl)cc(=O)[nH]1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is QEXBTWQMZHNFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c1-7-4-8(5-12(16)15-7)10-6-9(13)2-3-11(10)14/h2-6H,1H3,(H,15,16).
What are the key properties of 4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
4-(2,5-dichlorophenyl)-6-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 4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 133092468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).