1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone

C8H7F3INO — CID 22382033

IUPAC3-iodo-1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCC1=C(C(=O)N(C(=C1)C(F)(F)F)C)I
InChIInChI=1S/C8H7F3INO/c1-4-3-5(8(9,10)11)13(2)7(14)6(4)12/h3H,1-2H3
InChIKeySBSGCVBUURJOSB-UHFFFAOYSA-N
MW317.05 g/mol
LogP1.90
Rot. Bonds

About 1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone

1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone (PubChem CID 22382033) has the molecular formula C8H7F3INO and a molecular weight of 317.05 g/mol. Its IUPAC name is 3-iodo-1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone
PubChem CID22382033
Molecular FormulaC8H7F3INO
Molecular Weight317.05 g/mol
Exact Mass316.95
IUPAC Name3-iodo-1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCC1=C(C(=O)N(C(=C1)C(F)(F)F)C)I
InChIInChI=1S/C8H7F3INO/c1-4-3-5(8(9,10)11)13(2)7(14)6(4)12/h3H,1-2H3
InChIKeySBSGCVBUURJOSB-UHFFFAOYSA-N
XLogP1.90
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity343

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.05
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone 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

1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)
CID 134859364
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 22382014
1,4-dimethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 22382050
1,6-Dimethyl-3-iodo-4-(trifluoromethyl)-2-pyridone
CID 22382056
1,3,6-Trimethyl-4-(trifluoromethyl)pyridin-2-one
CID 89469037
1-Tert-butyl-3-iodo-4-(trifluoromethyl)pyridin-2-one
CID 90395505
4-(Difluoromethyl)-1,3,6-trimethylpyridin-2-one
CID 124019262
1,6-Dimethyl-3-sulfanyl-4-(trifluoromethyl)pyridin-2-one
CID 134419074
3-Ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 134419157
5-Fluoro-1,4,6-trimethylpyridin-2-one
CID 140313172
1-Ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
CID 145311455
3-Iodo-1,4-dimethyl-5-(trifluoromethyl)pyridin-2-one
CID 146565426

Frequently Asked Questions

What is the IUPAC name of 1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone?
The IUPAC name of 1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone (CID 22382033) is 3-iodo-1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone?
The canonical SMILES for 1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone is CC1=C(C(=O)N(C(=C1)C(F)(F)F)C)I.
What is the InChIKey of 1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone?
The InChIKey is SBSGCVBUURJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO/c1-4-3-5(8(9,10)11)13(2)7(14)6(4)12/h3H,1-2H3.
What are the key properties of 1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone?
1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone has a molecular weight of 317.05 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone is sourced from PubChem (CID 22382033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).