3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione

C13H9ClF3NO2 — CID 18408327

IUPAC3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione
SMILESCN1C(=O)C(c2ccc(Cl)cc2)C(=O)C=C1C(F)(F)F
InChIInChI=1S/C13H9ClF3NO2/c1-18-10(13(15,16)17)6-9(19)11(12(18)20)7-2-4-8(14)5-3-7/h2-6,11H,1H3
InChIKeyJIFSUGIYXFTBPK-UHFFFAOYSA-N
MW303.67 g/mol
LogP2.91
Rot. Bonds1

About 3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione

3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione (PubChem CID 18408327) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione
PubChem CID18408327
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Name3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione
SMILESCN1C(=O)C(c2ccc(Cl)cc2)C(=O)C=C1C(F)(F)F
InChIInChI=1S/C13H9ClF3NO2/c1-18-10(13(15,16)17)6-9(19)11(12(18)20)7-2-4-8(14)5-3-7/h2-6,11H,1H3
InChIKeyJIFSUGIYXFTBPK-UHFFFAOYSA-N
XLogP2.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione (CID 18408327) is 3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione is CN1C(=O)C(c2ccc(Cl)cc2)C(=O)C=C1C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione?
The InChIKey is JIFSUGIYXFTBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c1-18-10(13(15,16)17)6-9(19)11(12(18)20)7-2-4-8(14)5-3-7/h2-6,11H,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione?
3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione has a molecular weight of 303.67 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridine-2,4-dione is sourced from PubChem (CID 18408327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).