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

C6H3F3INO — CID 118837355

IUPAC6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)c(F)cc1I
InChIInChI=1S/C6H3F3INO/c7-2-1-3(10)6(12)11-4(2)5(8)9/h1,5H,(H,11,12)
InChIKeyGJAIKZPGNUFMGM-UHFFFAOYSA-N
MW288.99 g/mol
LogP2.06
Rot. Bonds1

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

6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one (PubChem CID 118837355) has the molecular formula C6H3F3INO and a molecular weight of 288.99 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
PubChem CID118837355
Molecular FormulaC6H3F3INO
Molecular Weight288.99 g/mol
Exact Mass288.92
IUPAC Name6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)c(F)cc1I
InChIInChI=1S/C6H3F3INO/c7-2-1-3(10)6(12)11-4(2)5(8)9/h1,5H,(H,11,12)
InChIKeyGJAIKZPGNUFMGM-UHFFFAOYSA-N
XLogP2.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.99
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one
CID 118837451
6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
CID 130079289
2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118832066
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
6-(difluoromethyl)-5-fluoro-4-iodo-1H-pyridin-2-one
CID 118826088
6-(difluoromethyl)-3-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 130082788
6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 130076426
6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130096189
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 118825976
2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one
CID 118826395
5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082637

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one (CID 118837355) is 6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one is O=c1[nH]c(C(F)F)c(F)cc1I.
What is the InChIKey of 6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one?
The InChIKey is GJAIKZPGNUFMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO/c7-2-1-3(10)6(12)11-4(2)5(8)9/h1,5H,(H,11,12).
What are the key properties of 6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one?
6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one has a molecular weight of 288.99 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one is sourced from PubChem (CID 118837355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).