3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one

C7H5F3INO — CID 79785181

IUPAC3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1c(I)cccn1CC(F)(F)F
InChIInChI=1S/C7H5F3INO/c8-7(9,10)4-12-3-1-2-5(11)6(12)13/h1-3H,4H2
InChIKeyOYVYDJAAYAAUHR-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.02
Rot. Bonds1

About 3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one

3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 79785181) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is 3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID79785181
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1c(I)cccn1CC(F)(F)F
InChIInChI=1S/C7H5F3INO/c8-7(9,10)4-12-3-1-2-5(11)6(12)13/h1-3H,4H2
InChIKeyOYVYDJAAYAAUHR-UHFFFAOYSA-N
XLogP2.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-iodo-1-(2,2,2-trifluoroethyl)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 3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 79785181) is 3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one is O=c1c(I)cccn1CC(F)(F)F.
What is the InChIKey of 3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is OYVYDJAAYAAUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c8-7(9,10)4-12-3-1-2-5(11)6(12)13/h1-3H,4H2.
What are the key properties of 3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one?
3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 303.02 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 79785181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).