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

C7H3F5INO — CID 118803834

IUPAC6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)c(I)cc1C(F)(F)F
InChIInChI=1S/C7H3F5INO/c8-5(9)4-3(13)1-2(6(15)14-4)7(10,11)12/h1,5H,(H,14,15)
InChIKeyYWUBWGABXYLROO-UHFFFAOYSA-N
MW339.00 g/mol
LogP2.94
Rot. Bonds1

About 6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one

6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118803834) has the molecular formula C7H3F5INO and a molecular weight of 339.00 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118803834
Molecular FormulaC7H3F5INO
Molecular Weight339.00 g/mol
Exact Mass338.92
IUPAC Name6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)c(I)cc1C(F)(F)F
InChIInChI=1S/C7H3F5INO/c8-5(9)4-3(13)1-2(6(15)14-4)7(10,11)12/h1,5H,(H,14,15)
InChIKeyYWUBWGABXYLROO-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one (CID 118803834) is 6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)F)c(I)cc1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is YWUBWGABXYLROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5INO/c8-5(9)4-3(13)1-2(6(15)14-4)7(10,11)12/h1,5H,(H,14,15).
What are the key properties of 6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one?
6-(difluoromethyl)-5-iodo-3-(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 6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118803834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).