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

C13H10ClF2NO2 — CID 5235867

IUPAC3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one
SMILESCN(C)c1cc(-c2ccc(F)cc2F)oc(=O)c1Cl
InChIInChI=1S/C13H10ClF2NO2/c1-17(2)10-6-11(19-13(18)12(10)14)8-4-3-7(15)5-9(8)16/h3-6H,1-2H3
InChIKeyMZCZKTICAYSNOM-UHFFFAOYSA-N
MW285.68 g/mol
LogP3.30
Rot. Bonds2

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

3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one (PubChem CID 5235867) has the molecular formula C13H10ClF2NO2 and a molecular weight of 285.68 g/mol. Its IUPAC name is 3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one.

Molecular Properties

Compound Name3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one
PubChem CID5235867
Molecular FormulaC13H10ClF2NO2
Molecular Weight285.68 g/mol
Exact Mass285.04
IUPAC Name3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one
SMILESCN(C)c1cc(-c2ccc(F)cc2F)oc(=O)c1Cl
InChIInChI=1S/C13H10ClF2NO2/c1-17(2)10-6-11(19-13(18)12(10)14)8-4-3-7(15)5-9(8)16/h3-6H,1-2H3
InChIKeyMZCZKTICAYSNOM-UHFFFAOYSA-N
XLogP3.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-(2,4-difluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one?
The IUPAC name of 3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one (CID 5235867) is 3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one.
What is the SMILES notation for 3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one?
The canonical SMILES for 3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one is CN(C)c1cc(-c2ccc(F)cc2F)oc(=O)c1Cl.
What is the InChIKey of 3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one?
The InChIKey is MZCZKTICAYSNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2/c1-17(2)10-6-11(19-13(18)12(10)14)8-4-3-7(15)5-9(8)16/h3-6H,1-2H3.
What are the key properties of 3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one?
3-chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one has a molecular weight of 285.68 g/mol, XLogP of 3.30, 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-difluorophenyl)-4-(dimethylamino)pyran-2-one is sourced from PubChem (CID 5235867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).