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

C13H11ClFNO2 — CID 2805958

IUPAC3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one
SMILESCN(C)c1cc(-c2ccc(F)cc2)oc(=O)c1Cl
InChIInChI=1S/C13H11ClFNO2/c1-16(2)10-7-11(18-13(17)12(10)14)8-3-5-9(15)6-4-8/h3-7H,1-2H3
InChIKeyBLJSXMCNNZQOAQ-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.17
Rot. Bonds2

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

3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one (PubChem CID 2805958) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is 3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one.

Molecular Properties

Compound Name3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one
PubChem CID2805958
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one
SMILESCN(C)c1cc(-c2ccc(F)cc2)oc(=O)c1Cl
InChIInChI=1S/C13H11ClFNO2/c1-16(2)10-7-11(18-13(17)12(10)14)8-3-5-9(15)6-4-8/h3-7H,1-2H3
InChIKeyBLJSXMCNNZQOAQ-UHFFFAOYSA-N
XLogP3.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-3-chloro-4-(dimethylamino)-2H-pyran-2-one
CID 2805940
3-chloro-6-(2,4-dichlorophenyl)-4-(dimethylamino)-2H-pyran-2-one
CID 2805944
3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)-2H-pyran-2-one
CID 2805936
4-[3-chloro-4-(dimethylamino)-2-oxo-2H-pyran-6-yl]benzonitrile
CID 2805953
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-(Dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile
CID 11031992
4-(Dimethylamino)-6-phenylpyran-2-one
CID 85566269
6-(4-Chlorophenyl)-4-(dimethylamino)pyran-2-one
CID 85566270
3-Chloro-6-(2,4-difluorophenyl)-4-(dimethylamino)pyran-2-one
CID 5235867
2H-Pyran-3-carbonitrile, 4-(dimethylamino)-6-(4-fluorophenyl)-2-oxo-
CID 10753659
3-Chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enylpyridin-2-one
CID 22050365

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one?
The IUPAC name of 3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one (CID 2805958) is 3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one.
What is the SMILES notation for 3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one?
The canonical SMILES for 3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one is CN(C)c1cc(-c2ccc(F)cc2)oc(=O)c1Cl.
What is the InChIKey of 3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one?
The InChIKey is BLJSXMCNNZQOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c1-16(2)10-7-11(18-13(17)12(10)14)8-3-5-9(15)6-4-8/h3-7H,1-2H3.
What are the key properties of 3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one?
3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one has a molecular weight of 267.69 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(dimethylamino)-6-(4-fluorophenyl)pyran-2-one is sourced from PubChem (CID 2805958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).