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

C7H6F3NO2 — CID 67646629

IUPAC1-methyl-6-(trifluoromethyl)pyridine-2,4-dione
SMILESCN1C(=O)CC(=O)C=C1C(F)(F)F
InChIInChI=1S/C7H6F3NO2/c1-11-5(7(8,9)10)2-4(12)3-6(11)13/h2H,3H2,1H3
InChIKeyZNHMWQJTHKVTHF-UHFFFAOYSA-N
MW193.12 g/mol
LogP0.86
Rot. Bonds

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

1-methyl-6-(trifluoromethyl)pyridine-2,4-dione (PubChem CID 67646629) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-methyl-6-(trifluoromethyl)pyridine-2,4-dione.

Molecular Properties

Compound Name1-methyl-6-(trifluoromethyl)pyridine-2,4-dione
PubChem CID67646629
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name1-methyl-6-(trifluoromethyl)pyridine-2,4-dione
SMILESCN1C(=O)CC(=O)C=C1C(F)(F)F
InChIInChI=1S/C7H6F3NO2/c1-11-5(7(8,9)10)2-4(12)3-6(11)13/h2H,3H2,1H3
InChIKeyZNHMWQJTHKVTHF-UHFFFAOYSA-N
XLogP0.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-6-(trifluoromethyl)pyridine-2,4-dione 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 1-methyl-6-(trifluoromethyl)pyridine-2,4-dione?
The IUPAC name of 1-methyl-6-(trifluoromethyl)pyridine-2,4-dione (CID 67646629) is 1-methyl-6-(trifluoromethyl)pyridine-2,4-dione.
What is the SMILES notation for 1-methyl-6-(trifluoromethyl)pyridine-2,4-dione?
The canonical SMILES for 1-methyl-6-(trifluoromethyl)pyridine-2,4-dione is CN1C(=O)CC(=O)C=C1C(F)(F)F.
What is the InChIKey of 1-methyl-6-(trifluoromethyl)pyridine-2,4-dione?
The InChIKey is ZNHMWQJTHKVTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-11-5(7(8,9)10)2-4(12)3-6(11)13/h2H,3H2,1H3.
What are the key properties of 1-methyl-6-(trifluoromethyl)pyridine-2,4-dione?
1-methyl-6-(trifluoromethyl)pyridine-2,4-dione has a molecular weight of 193.12 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(trifluoromethyl)pyridine-2,4-dione is sourced from PubChem (CID 67646629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).