5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one

C13H9F3INO — CID 141151683

IUPAC5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1c(I)ccc(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3INO/c1-8-11(17)5-6-12(19)18(8)10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3
InChIKeyPRCDEMVBFAFLQV-UHFFFAOYSA-N
MW379.12 g/mol
LogP3.77
Rot. Bonds1

About 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one

5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 141151683) has the molecular formula C13H9F3INO and a molecular weight of 379.12 g/mol. Its IUPAC name is 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID141151683
Molecular FormulaC13H9F3INO
Molecular Weight379.12 g/mol
Exact Mass378.97
IUPAC Name5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1c(I)ccc(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3INO/c1-8-11(17)5-6-12(19)18(8)10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3
InChIKeyPRCDEMVBFAFLQV-UHFFFAOYSA-N
XLogP3.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one 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

2,3,5-trimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CID 58636933
6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 91669634
6-iodo-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 1070659
5-hydroxy-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 70267707
5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 143779393
5-bromo-6-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 158849124
1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 141088850
2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 145101520
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
5-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 2322010
5-ethenyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 141151685
10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 151378917

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one (CID 141151683) is 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one is Cc1c(I)ccc(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is PRCDEMVBFAFLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3INO/c1-8-11(17)5-6-12(19)18(8)10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3.
What are the key properties of 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 379.12 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 141151683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).