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

C6H3F2I2NO — CID 118837182

IUPAC6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one
SMILESO=c1cc(I)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C6H3F2I2NO/c7-6(8)5-4(10)2(9)1-3(12)11-5/h1,6H,(H,11,12)
InChIKeyMBBWUQCVVBJTLX-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.52
Rot. Bonds1

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

6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one (PubChem CID 118837182) has the molecular formula C6H3F2I2NO and a molecular weight of 396.90 g/mol. Its IUPAC name is 6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one
PubChem CID118837182
Molecular FormulaC6H3F2I2NO
Molecular Weight396.90 g/mol
Exact Mass396.83
IUPAC Name6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one
SMILESO=c1cc(I)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C6H3F2I2NO/c7-6(8)5-4(10)2(9)1-3(12)11-5/h1,6H,(H,11,12)
InChIKeyMBBWUQCVVBJTLX-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-Iodo-6-(trifluoromethyl)pyridin-2-ol
CID 46318013
4-Iodo-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 118704344
5-chloro-3-iodo-6-(trifluoromethyl)pyridin-2(1H)-one
CID 67121042
5-Iodo-6-(trifluoromethyl)pyridin-2-ol
CID 72183135
3-Fluoro-6-hydroxy-2-(trifluoromethyl)pyridine
CID 82600811
4-Fluoro-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118704288
2-(Difluoromethyl)-6-hydroxy-3-iodo-5-(trifluoromethyl)pyridine
CID 118803834
4-Amino-6-(difluoromethyl)-3-iodopyridin-2-ol
CID 118811898
2-(Difluoromethyl)-4-fluoro-6-hydroxy-3-iodopyridine
CID 118820764
2-(Difluoromethyl)-3-iodo-6-hydroxypyridine
CID 118825976
2-(Difluoromethyl)-4-iodo-6-hydroxypyridine
CID 118826022
2-(Difluoromethyl)-3-fluoro-6-hydroxy-4-iodopyridine
CID 118826088

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one (CID 118837182) is 6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one is O=c1cc(I)c(I)c(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one?
The InChIKey is MBBWUQCVVBJTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2I2NO/c7-6(8)5-4(10)2(9)1-3(12)11-5/h1,6H,(H,11,12).
What are the key properties of 6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one?
6-(difluoromethyl)-4,5-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 6-(difluoromethyl)-4,5-diiodo-1H-pyridin-2-one is sourced from PubChem (CID 118837182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).