3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one

C7H4IN3O2 — CID 136812652

IUPAC3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1-c1nc(I)no1
InChIInChI=1S/C7H4IN3O2/c8-7-10-6(13-11-7)4-3-9-2-1-5(4)12/h1-3H,(H,9,12)
InChIKeyNUWQIRLOZAUKKJ-UHFFFAOYSA-N
MW289.03 g/mol
LogP1.03
Rot. Bonds1

About 3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one

3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one (PubChem CID 136812652) has the molecular formula C7H4IN3O2 and a molecular weight of 289.03 g/mol. Its IUPAC name is 3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
PubChem CID136812652
Molecular FormulaC7H4IN3O2
Molecular Weight289.03 g/mol
Exact Mass288.93
IUPAC Name3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1-c1nc(I)no1
InChIInChI=1S/C7H4IN3O2/c8-7-10-6(13-11-7)4-3-9-2-1-5(4)12/h1-3H,(H,9,12)
InChIKeyNUWQIRLOZAUKKJ-UHFFFAOYSA-N
XLogP1.03
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.03
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one?
The IUPAC name of 3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one (CID 136812652) is 3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one?
The canonical SMILES for 3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one is O=c1cc[nH]cc1-c1nc(I)no1.
What is the InChIKey of 3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one?
The InChIKey is NUWQIRLOZAUKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4IN3O2/c8-7-10-6(13-11-7)4-3-9-2-1-5(4)12/h1-3H,(H,9,12).
What are the key properties of 3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one?
3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one has a molecular weight of 289.03 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one is sourced from PubChem (CID 136812652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).