5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one

C7H3F5INO — CID 130082742

IUPAC5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(C(F)(F)F)c1I
InChIInChI=1S/C7H3F5INO/c8-5(9)2-1-14-6(15)4(13)3(2)7(10,11)12/h1,5H,(H,14,15)
InChIKeyPPHFCAYJTWNMOP-UHFFFAOYSA-N
MW339.00 g/mol
LogP2.94
Rot. Bonds1

About 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one

5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130082742) has the molecular formula C7H3F5INO and a molecular weight of 339.00 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130082742
Molecular FormulaC7H3F5INO
Molecular Weight339.00 g/mol
Exact Mass338.92
IUPAC Name5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(C(F)(F)F)c1I
InChIInChI=1S/C7H3F5INO/c8-5(9)2-1-14-6(15)4(13)3(2)7(10,11)12/h1,5H,(H,14,15)
InChIKeyPPHFCAYJTWNMOP-UHFFFAOYSA-N
XLogP2.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.00
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-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

5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133103318
5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
CID 130082731
3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130110034
4-(bromomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082661
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568
2-[5-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetonitrile
CID 133102304
4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118812570
5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 130085424
5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide
CID 130083110
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)-1H-pyridin-4-one
CID 130083354
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
methyl 2-[5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridin-4-yl]acetate
CID 133103603

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one (CID 130082742) is 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)F)c(C(F)(F)F)c1I.
What is the InChIKey of 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is PPHFCAYJTWNMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5INO/c8-5(9)2-1-14-6(15)4(13)3(2)7(10,11)12/h1,5H,(H,14,15).
What are the key properties of 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one?
5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 339.00 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130082742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).