4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one

C6H3F2I2NO — CID 118823820

IUPAC4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(I)c(I)[nH]1
InChIInChI=1S/C6H3F2I2NO/c7-5(8)2-1-3(12)11-6(10)4(2)9/h1,5H,(H,11,12)
InChIKeyFGLKIMOLQPIBPY-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.52
Rot. Bonds1

About 4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one

4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one (PubChem CID 118823820) has the molecular formula C6H3F2I2NO and a molecular weight of 396.90 g/mol. Its IUPAC name is 4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one
PubChem CID118823820
Molecular FormulaC6H3F2I2NO
Molecular Weight396.90 g/mol
Exact Mass396.83
IUPAC Name4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(I)c(I)[nH]1
InChIInChI=1S/C6H3F2I2NO/c7-5(8)2-1-3(12)11-6(10)4(2)9/h1,5H,(H,11,12)
InChIKeyFGLKIMOLQPIBPY-UHFFFAOYSA-N
XLogP2.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one (CID 118823820) is 4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one is O=c1cc(C(F)F)c(I)c(I)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one?
The InChIKey is FGLKIMOLQPIBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2I2NO/c7-5(8)2-1-3(12)11-6(10)4(2)9/h1,5H,(H,11,12).
What are the key properties of 4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one?
4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one has a molecular weight of 396.90 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5,6-diiodo-1H-pyridin-2-one is sourced from PubChem (CID 118823820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).