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

C5H2F2INO — CID 167730457

IUPAC2,5-difluoro-3-iodo-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]c(F)c1I
InChIInChI=1S/C5H2F2INO/c6-2-1-9-5(7)3(8)4(2)10/h1H,(H,9,10)
InChIKeyMMSIKXHLHGXERG-UHFFFAOYSA-N
MW256.98 g/mol
LogP1.26
Rot. Bonds

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

2,5-difluoro-3-iodo-1H-pyridin-4-one (PubChem CID 167730457) has the molecular formula C5H2F2INO and a molecular weight of 256.98 g/mol. Its IUPAC name is 2,5-difluoro-3-iodo-1H-pyridin-4-one.

Molecular Properties

Compound Name2,5-difluoro-3-iodo-1H-pyridin-4-one
PubChem CID167730457
Molecular FormulaC5H2F2INO
Molecular Weight256.98 g/mol
Exact Mass256.91
IUPAC Name2,5-difluoro-3-iodo-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]c(F)c1I
InChIInChI=1S/C5H2F2INO/c6-2-1-9-5(7)3(8)4(2)10/h1H,(H,9,10)
InChIKeyMMSIKXHLHGXERG-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': '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 2,5-difluoro-3-iodo-1H-pyridin-4-one?
The IUPAC name of 2,5-difluoro-3-iodo-1H-pyridin-4-one (CID 167730457) is 2,5-difluoro-3-iodo-1H-pyridin-4-one.
What is the SMILES notation for 2,5-difluoro-3-iodo-1H-pyridin-4-one?
The canonical SMILES for 2,5-difluoro-3-iodo-1H-pyridin-4-one is O=c1c(F)c[nH]c(F)c1I.
What is the InChIKey of 2,5-difluoro-3-iodo-1H-pyridin-4-one?
The InChIKey is MMSIKXHLHGXERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F2INO/c6-2-1-9-5(7)3(8)4(2)10/h1H,(H,9,10).
What are the key properties of 2,5-difluoro-3-iodo-1H-pyridin-4-one?
2,5-difluoro-3-iodo-1H-pyridin-4-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 2,5-difluoro-3-iodo-1H-pyridin-4-one is sourced from PubChem (CID 167730457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).