4-iodo-3-nitro-1H-pyridin-2-one

C5H3IN2O3 — CID 177198093

IUPAC4-iodo-3-nitro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(I)c1[N+](=O)[O-]
InChIInChI=1S/C5H3IN2O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2H,(H,7,9)
InChIKeyCPNUUZMFBDVKAF-UHFFFAOYSA-N
MW265.99 g/mol
LogP0.89
Rot. Bonds1

About 4-iodo-3-nitro-1H-pyridin-2-one

4-iodo-3-nitro-1H-pyridin-2-one (PubChem CID 177198093) has the molecular formula C5H3IN2O3 and a molecular weight of 265.99 g/mol. Its IUPAC name is 4-iodo-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-iodo-3-nitro-1H-pyridin-2-one
PubChem CID177198093
Molecular FormulaC5H3IN2O3
Molecular Weight265.99 g/mol
Exact Mass265.92
IUPAC Name4-iodo-3-nitro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(I)c1[N+](=O)[O-]
InChIInChI=1S/C5H3IN2O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2H,(H,7,9)
InChIKeyCPNUUZMFBDVKAF-UHFFFAOYSA-N
XLogP0.89
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.99
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-nitro-1H-pyridin-2-one?
The IUPAC name of 4-iodo-3-nitro-1H-pyridin-2-one (CID 177198093) is 4-iodo-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 4-iodo-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 4-iodo-3-nitro-1H-pyridin-2-one is O=c1[nH]ccc(I)c1[N+](=O)[O-].
What is the InChIKey of 4-iodo-3-nitro-1H-pyridin-2-one?
The InChIKey is CPNUUZMFBDVKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN2O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2H,(H,7,9).
What are the key properties of 4-iodo-3-nitro-1H-pyridin-2-one?
4-iodo-3-nitro-1H-pyridin-2-one has a molecular weight of 265.99 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 177198093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).