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

C13H10Cl2FNO2 — CID 3642757

IUPAC3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one
SMILESCN(C)c1cc(-c2cccc(Cl)c2F)oc(=O)c1Cl
InChIInChI=1S/C13H10Cl2FNO2/c1-17(2)9-6-10(19-13(18)11(9)15)7-4-3-5-8(14)12(7)16/h3-6H,1-2H3
InChIKeySBMWJNAIHDUHTL-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.82
Rot. Bonds2

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

3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one (PubChem CID 3642757) has the molecular formula C13H10Cl2FNO2 and a molecular weight of 302.13 g/mol. Its IUPAC name is 3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one.

Molecular Properties

Compound Name3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one
PubChem CID3642757
Molecular FormulaC13H10Cl2FNO2
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Name3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one
SMILESCN(C)c1cc(-c2cccc(Cl)c2F)oc(=O)c1Cl
InChIInChI=1S/C13H10Cl2FNO2/c1-17(2)9-6-10(19-13(18)11(9)15)7-4-3-5-8(14)12(7)16/h3-6H,1-2H3
InChIKeySBMWJNAIHDUHTL-UHFFFAOYSA-N
XLogP3.82
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one?
The IUPAC name of 3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one (CID 3642757) is 3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one.
What is the SMILES notation for 3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one?
The canonical SMILES for 3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one is CN(C)c1cc(-c2cccc(Cl)c2F)oc(=O)c1Cl.
What is the InChIKey of 3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one?
The InChIKey is SBMWJNAIHDUHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO2/c1-17(2)9-6-10(19-13(18)11(9)15)7-4-3-5-8(14)12(7)16/h3-6H,1-2H3.
What are the key properties of 3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one?
3-chloro-6-(3-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one has a molecular weight of 302.13 g/mol, XLogP of 3.82, 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-chloro-2-fluorophenyl)-4-(dimethylamino)pyran-2-one is sourced from PubChem (CID 3642757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).