3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one

C13H11Cl2NO2 — CID 2805936

IUPAC3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one
SMILESCN(C)c1cc(-c2ccc(Cl)cc2)oc(=O)c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-16(2)10-7-11(18-13(17)12(10)15)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKeyBPNPNRYPGVAZSZ-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.68
Rot. Bonds2

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

3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one (PubChem CID 2805936) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one.

Molecular Properties

Compound Name3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one
PubChem CID2805936
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one
SMILESCN(C)c1cc(-c2ccc(Cl)cc2)oc(=O)c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-16(2)10-7-11(18-13(17)12(10)15)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKeyBPNPNRYPGVAZSZ-UHFFFAOYSA-N
XLogP3.68
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-(4-chlorophenyl)-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

6-(4-chlorophenyl)-4-morpholino-2H-pyran-2-one
CID 21106425
3-Chloro-6-(3,4-dichlorophenyl)-4-(dimethylamino)pyran-2-one
CID 2805937
3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)-2H-pyran-2-one
CID 2805944
3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)-2H-pyran-2-one
CID 2805958
3-chloro-4-(dimethylamino)-6-[3-(trifluoromethyl)phenyl]-2H-pyran-2-one
CID 3705860
3-Chloro-4-(dimethylamino)-6-phenylpyran-2-one
CID 330050
4-[2-Bromoethyl(methyl)amino]-6-(4-chlorophenyl)-2-oxopyran-3-carbonitrile
CID 90667005
6-(4-Chlorophenyl)-4-piperidin-1-ylpyran-2-one
CID 85566267
4-(Dimethylamino)-6-phenylpyran-2-one
CID 85566269
6-(4-Chlorophenyl)-4-(dimethylamino)pyran-2-one
CID 85566270
6-(4-chlorophenyl)-2-oxo-4-(1-pyrrolidinyl)-2H-pyran-3-carbonitrile
CID 11243533
3-Chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one
CID 5235867

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one?
The IUPAC name of 3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one (CID 2805936) is 3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one.
What is the SMILES notation for 3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one?
The canonical SMILES for 3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one is CN(C)c1cc(-c2ccc(Cl)cc2)oc(=O)c1Cl.
What is the InChIKey of 3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one?
The InChIKey is BPNPNRYPGVAZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-16(2)10-7-11(18-13(17)12(10)15)8-3-5-9(14)6-4-8/h3-7H,1-2H3.
What are the key properties of 3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one?
3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one has a molecular weight of 284.14 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)pyran-2-one is sourced from PubChem (CID 2805936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).