3,5-difluoro-4-iodo-1H-pyridin-2-one

C5H2F2INO — CID 70665196

IUPAC3,5-difluoro-4-iodo-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(I)c1F
InChIInChI=1S/C5H2F2INO/c6-2-1-9-5(10)3(7)4(2)8/h1H,(H,9,10)
InChIKeyBIEAFGQFWBQNMT-UHFFFAOYSA-N
MW256.98 g/mol
LogP1.26
Rot. Bonds

About 3,5-difluoro-4-iodo-1H-pyridin-2-one

3,5-difluoro-4-iodo-1H-pyridin-2-one (PubChem CID 70665196) has the molecular formula C5H2F2INO and a molecular weight of 256.98 g/mol. Its IUPAC name is 3,5-difluoro-4-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-difluoro-4-iodo-1H-pyridin-2-one
PubChem CID70665196
Molecular FormulaC5H2F2INO
Molecular Weight256.98 g/mol
Exact Mass256.91
IUPAC Name3,5-difluoro-4-iodo-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(I)c1F
InChIInChI=1S/C5H2F2INO/c6-2-1-9-5(10)3(7)4(2)8/h1H,(H,9,10)
InChIKeyBIEAFGQFWBQNMT-UHFFFAOYSA-N
XLogP1.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.98
LogP ≤ 51.26
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

3,5-Diiodopyridin-2-ol
CID 293093
5-Fluoro-3-iodopyridin-2(1H)-one
CID 46737827
4-fluoro-5-iodo-1H-pyridin-2-one
CID 68110419
Diiodopyridone
CID 90113164
2(1H)-Pyridinone, 3,5-difluoro-
CID 12000513
3,4,5-trifluoro-1H-pyridin-2-one
CID 22133596
3,4-Difluoropyridin-2-ol
CID 69343277
5-Fluoro-4-iodopyridin-2-ol
CID 70664593
3-Fluoro-4-iodopyridin-2(1H)-one
CID 70817325
5-fluoro-3-iodo-4-methyl-1H-pyridin-2-one
CID 123321088
3-Fluoro-2-hydroxy-5-iodopyridine
CID 130781628
3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one
CID 151032557

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-iodo-1H-pyridin-2-one?
The IUPAC name of 3,5-difluoro-4-iodo-1H-pyridin-2-one (CID 70665196) is 3,5-difluoro-4-iodo-1H-pyridin-2-one.
What is the SMILES notation for 3,5-difluoro-4-iodo-1H-pyridin-2-one?
The canonical SMILES for 3,5-difluoro-4-iodo-1H-pyridin-2-one is O=c1[nH]cc(F)c(I)c1F.
What is the InChIKey of 3,5-difluoro-4-iodo-1H-pyridin-2-one?
The InChIKey is BIEAFGQFWBQNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F2INO/c6-2-1-9-5(10)3(7)4(2)8/h1H,(H,9,10).
What are the key properties of 3,5-difluoro-4-iodo-1H-pyridin-2-one?
3,5-difluoro-4-iodo-1H-pyridin-2-one has a molecular weight of 256.98 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-iodo-1H-pyridin-2-one is sourced from PubChem (CID 70665196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).