2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one

C7H3F5INO2 — CID 118820777

IUPAC2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc(OC(F)(F)F)[nH]c(C(F)F)c1I
InChIInChI=1S/C7H3F5INO2/c8-6(9)5-4(13)2(15)1-3(14-5)16-7(10,11)12/h1,6H,(H,14,15)
InChIKeyACJQCCHWXBGIAV-UHFFFAOYSA-N
MW355.00 g/mol
LogP2.82
Rot. Bonds2

About 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one

2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118820777) has the molecular formula C7H3F5INO2 and a molecular weight of 355.00 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118820777
Molecular FormulaC7H3F5INO2
Molecular Weight355.00 g/mol
Exact Mass354.91
IUPAC Name2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc(OC(F)(F)F)[nH]c(C(F)F)c1I
InChIInChI=1S/C7H3F5INO2/c8-6(9)5-4(13)2(15)1-3(14-5)16-7(10,11)12/h1,6H,(H,14,15)
InChIKeyACJQCCHWXBGIAV-UHFFFAOYSA-N
XLogP2.82
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.00
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-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 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one (CID 118820777) is 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one is O=c1cc(OC(F)(F)F)[nH]c(C(F)F)c1I.
What is the InChIKey of 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is ACJQCCHWXBGIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5INO2/c8-6(9)5-4(13)2(15)1-3(14-5)16-7(10,11)12/h1,6H,(H,14,15).
What are the key properties of 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one?
2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 355.00 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118820777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).