3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one

C13H10Cl3NO2 — CID 2805944

IUPAC3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one
SMILESCN(C)c1cc(-c2ccc(Cl)cc2Cl)oc(=O)c1Cl
InChIInChI=1S/C13H10Cl3NO2/c1-17(2)10-6-11(19-13(18)12(10)16)8-4-3-7(14)5-9(8)15/h3-6H,1-2H3
InChIKeyQYYYBVBBCSVOOM-UHFFFAOYSA-N
MW318.59 g/mol
LogP4.33
Rot. Bonds2

About 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one

3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one (PubChem CID 2805944) has the molecular formula C13H10Cl3NO2 and a molecular weight of 318.59 g/mol. Its IUPAC name is 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one.

Molecular Properties

Compound Name3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one
PubChem CID2805944
Molecular FormulaC13H10Cl3NO2
Molecular Weight318.59 g/mol
Exact Mass316.98
IUPAC Name3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one
SMILESCN(C)c1cc(-c2ccc(Cl)cc2Cl)oc(=O)c1Cl
InChIInChI=1S/C13H10Cl3NO2/c1-17(2)10-6-11(19-13(18)12(10)16)8-4-3-7(14)5-9(8)15/h3-6H,1-2H3
InChIKeyQYYYBVBBCSVOOM-UHFFFAOYSA-N
XLogP4.33
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-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

3-Chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one
CID 2805937
3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)-2H-pyran-2-one
CID 2805958
3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)-2H-pyran-2-one
CID 2805936
3-Chloro-4-(dimethylamino)-6-phenylpyran-2-one
CID 330050
6-(4-Chlorophenyl)-4-(dimethylamino)pyran-2-one
CID 85566270
3-Chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one
CID 5235867
4-(2,4-Dichlorobenzoyloxy)-1,6-dimethyl-2(1h)-pyridone
CID 110273391
6-(2,4-Dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
CID 164665657
6-(2,4-Dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
CID 164665751
5-(4-Chlorophenyl)-3-[(dimethylamino)methylidene]furan-2(3h)-one
CID 171393743
3-Chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one
CID 3642757
3-Chloro-4-(diethylamino)-6-phenylpyran-2-one
CID 330051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one?
The IUPAC name of 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one (CID 2805944) is 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one.
What is the SMILES notation for 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one?
The canonical SMILES for 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one is CN(C)c1cc(-c2ccc(Cl)cc2Cl)oc(=O)c1Cl.
What is the InChIKey of 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one?
The InChIKey is QYYYBVBBCSVOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO2/c1-17(2)10-6-11(19-13(18)12(10)16)8-4-3-7(14)5-9(8)15/h3-6H,1-2H3.
What are the key properties of 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one?
3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one has a molecular weight of 318.59 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one is sourced from PubChem (CID 2805944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).