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

C6H3F3INO — CID 118812570

IUPAC4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(C(F)F)c1I
InChIInChI=1S/C6H3F3INO/c7-2-1-11-6(12)4(10)3(2)5(8)9/h1,5H,(H,11,12)
InChIKeyORVJWVWMFASETO-UHFFFAOYSA-N
MW288.99 g/mol
LogP2.06
Rot. Bonds1

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

4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one (PubChem CID 118812570) has the molecular formula C6H3F3INO and a molecular weight of 288.99 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
PubChem CID118812570
Molecular FormulaC6H3F3INO
Molecular Weight288.99 g/mol
Exact Mass288.92
IUPAC Name4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(C(F)F)c1I
InChIInChI=1S/C6H3F3INO/c7-2-1-11-6(12)4(10)3(2)5(8)9/h1,5H,(H,11,12)
InChIKeyORVJWVWMFASETO-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

5-(aminomethyl)-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082592
4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 118805633
4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118852230
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one
CID 130082742
3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082587
5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131115667
3-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082829
4-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-sulfonamide
CID 118851891
4-(bromomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082661
3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130110034
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one (CID 118812570) is 4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one is O=c1[nH]cc(F)c(C(F)F)c1I.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one?
The InChIKey is ORVJWVWMFASETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO/c7-2-1-11-6(12)4(10)3(2)5(8)9/h1,5H,(H,11,12).
What are the key properties of 4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one?
4-(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 4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one is sourced from PubChem (CID 118812570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).