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

C7H6F2INO — CID 118837451

IUPAC6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one
SMILESCc1cc(I)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H6F2INO/c1-3-2-4(10)7(12)11-5(3)6(8)9/h2,6H,1H3,(H,11,12)
InChIKeyWYGDSLQPPJVORA-UHFFFAOYSA-N
MW285.03 g/mol
LogP2.23
Rot. Bonds1

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

6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one (PubChem CID 118837451) has the molecular formula C7H6F2INO and a molecular weight of 285.03 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one
PubChem CID118837451
Molecular FormulaC7H6F2INO
Molecular Weight285.03 g/mol
Exact Mass284.95
IUPAC Name6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one
SMILESCc1cc(I)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H6F2INO/c1-3-2-4(10)7(12)11-5(3)6(8)9/h2,6H,1H3,(H,11,12)
InChIKeyWYGDSLQPPJVORA-UHFFFAOYSA-N
XLogP2.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 52.23
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)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118837355
6-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
CID 119013990
2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118832066
6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118814881
6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
CID 130079289
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-4-iodo-1H-pyridin-2-one
CID 118826088
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 118825976
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
4-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118817701

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one (CID 118837451) is 6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one is Cc1cc(I)c(=O)[nH]c1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one?
The InChIKey is WYGDSLQPPJVORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO/c1-3-2-4(10)7(12)11-5(3)6(8)9/h2,6H,1H3,(H,11,12).
What are the key properties of 6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one?
6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one has a molecular weight of 285.03 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118837451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).