2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one

C6H4F2INO2 — CID 118831726

IUPAC2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(C(F)F)c1O
InChIInChI=1S/C6H4F2INO2/c7-6(8)4-5(12)2(11)1-3(9)10-4/h1,6,12H,(H,10,11)
InChIKeyQGDWATSPQSJOFO-UHFFFAOYSA-N
MW287.00 g/mol
LogP1.62
Rot. Bonds1

About 2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one

2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one (PubChem CID 118831726) has the molecular formula C6H4F2INO2 and a molecular weight of 287.00 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one
PubChem CID118831726
Molecular FormulaC6H4F2INO2
Molecular Weight287.00 g/mol
Exact Mass286.93
IUPAC Name2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(C(F)F)c1O
InChIInChI=1S/C6H4F2INO2/c7-6(8)4-5(12)2(11)1-3(9)10-4/h1,6,12H,(H,10,11)
InChIKeyQGDWATSPQSJOFO-UHFFFAOYSA-N
XLogP1.62
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.00
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hydroxy-6-iodo-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one (CID 118831726) is 2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one is O=c1cc(I)[nH]c(C(F)F)c1O.
What is the InChIKey of 2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one?
The InChIKey is QGDWATSPQSJOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2INO2/c7-6(8)4-5(12)2(11)1-3(9)10-4/h1,6,12H,(H,10,11).
What are the key properties of 2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one?
2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one has a molecular weight of 287.00 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-hydroxy-6-iodo-1H-pyridin-4-one is sourced from PubChem (CID 118831726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).