5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C14H11F3INO — CID 79785574

IUPAC5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCc1cc(=O)n(Cc2ccc(C(F)(F)F)cc2)cc1I
InChIInChI=1S/C14H11F3INO/c1-9-6-13(20)19(8-12(9)18)7-10-2-4-11(5-3-10)14(15,16)17/h2-6,8H,7H2,1H3
InChIKeyTVFVBSBOKDDXLJ-UHFFFAOYSA-N
MW393.15 g/mol
LogP3.83
Rot. Bonds2

About 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 79785574) has the molecular formula C14H11F3INO and a molecular weight of 393.15 g/mol. Its IUPAC name is 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID79785574
Molecular FormulaC14H11F3INO
Molecular Weight393.15 g/mol
Exact Mass392.98
IUPAC Name5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCc1cc(=O)n(Cc2ccc(C(F)(F)F)cc2)cc1I
InChIInChI=1S/C14H11F3INO/c1-9-6-13(20)19(8-12(9)18)7-10-2-4-11(5-3-10)14(15,16)17/h2-6,8H,7H2,1H3
InChIKeyTVFVBSBOKDDXLJ-UHFFFAOYSA-N
XLogP3.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 79785574) is 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is Cc1cc(=O)n(Cc2ccc(C(F)(F)F)cc2)cc1I.
What is the InChIKey of 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is TVFVBSBOKDDXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3INO/c1-9-6-13(20)19(8-12(9)18)7-10-2-4-11(5-3-10)14(15,16)17/h2-6,8H,7H2,1H3.
What are the key properties of 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 393.15 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 79785574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).