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

C13H10Cl3NO2 — CID 2805937

IUPAC3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one
SMILESCN(C)c1cc(-c2ccc(Cl)c(Cl)c2)oc(=O)c1Cl
InChIInChI=1S/C13H10Cl3NO2/c1-17(2)10-6-11(19-13(18)12(10)16)7-3-4-8(14)9(15)5-7/h3-6H,1-2H3
InChIKeyLSVGTJAZWPRASB-UHFFFAOYSA-N
MW318.59 g/mol
LogP4.33
Rot. Bonds2

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

3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one (PubChem CID 2805937) has the molecular formula C13H10Cl3NO2 and a molecular weight of 318.59 g/mol. Its IUPAC name is 3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one.

Molecular Properties

Compound Name3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one
PubChem CID2805937
Molecular FormulaC13H10Cl3NO2
Molecular Weight318.59 g/mol
Exact Mass316.98
IUPAC Name3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one
SMILESCN(C)c1cc(-c2ccc(Cl)c(Cl)c2)oc(=O)c1Cl
InChIInChI=1S/C13H10Cl3NO2/c1-17(2)10-6-11(19-13(18)12(10)16)7-3-4-8(14)9(15)5-7/h3-6H,1-2H3
InChIKeyLSVGTJAZWPRASB-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-(3,4-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

CID 2805944
CID 2805944
CID 2805936
CID 2805936
CID 330050
CID 330050
CID 85566270
CID 85566270
CID 85999946
CID 85999946
CID 3642757
CID 3642757
CID 333558
CID 333558
CID 2805955
CID 2805955
CID 10564293
CID 10564293
CID 10709981
CID 10709981
CID 24976347
CID 24976347
CID 53786495
CID 53786495

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one?
The IUPAC name of 3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one (CID 2805937) is 3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one.
What is the SMILES notation for 3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one?
The canonical SMILES for 3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one is CN(C)c1cc(-c2ccc(Cl)c(Cl)c2)oc(=O)c1Cl.
What is the InChIKey of 3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one?
The InChIKey is LSVGTJAZWPRASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO2/c1-17(2)10-6-11(19-13(18)12(10)16)7-3-4-8(14)9(15)5-7/h3-6H,1-2H3.
What are the key properties of 3-chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one?
3-chloro-6-(3,4-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-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one is sourced from PubChem (CID 2805937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).