2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one

C6H3F2I2NO — CID 118814793

IUPAC2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(C(F)F)c1I
InChIInChI=1S/C6H3F2I2NO/c7-6(8)5-4(10)2(12)1-3(9)11-5/h1,6H,(H,11,12)
InChIKeyBLVPJGOIWMKLTQ-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.52
Rot. Bonds1

About 2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one

2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one (PubChem CID 118814793) has the molecular formula C6H3F2I2NO and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one
PubChem CID118814793
Molecular FormulaC6H3F2I2NO
Molecular Weight396.90 g/mol
Exact Mass396.83
IUPAC Name2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(C(F)F)c1I
InChIInChI=1S/C6H3F2I2NO/c7-6(8)5-4(10)2(12)1-3(9)11-5/h1,6H,(H,11,12)
InChIKeyBLVPJGOIWMKLTQ-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 2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one (CID 118814793) is 2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one is O=c1cc(I)[nH]c(C(F)F)c1I.
What is the InChIKey of 2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one?
The InChIKey is BLVPJGOIWMKLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2I2NO/c7-6(8)5-4(10)2(12)1-3(9)11-5/h1,6H,(H,11,12).
What are the key properties of 2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one?
2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-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 2-(difluoromethyl)-3,6-diiodo-1H-pyridin-4-one is sourced from PubChem (CID 118814793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).