3-iodo-5-nitro-3H-pyridin-2-one

C5H3IN2O3 — CID 73098166

IUPAC3-iodo-5-nitro-3H-pyridin-2-one
SMILESO=C1N=CC([N+](=O)[O-])=CC1I
InChIInChI=1S/C5H3IN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2,4H
InChIKeyOUSQYGYKJULNFX-UHFFFAOYSA-N
MW265.99 g/mol
LogP0.56
Rot. Bonds1

About 3-iodo-5-nitro-3H-pyridin-2-one

3-iodo-5-nitro-3H-pyridin-2-one (PubChem CID 73098166) has the molecular formula C5H3IN2O3 and a molecular weight of 265.99 g/mol. Its IUPAC name is 3-iodo-5-nitro-3H-pyridin-2-one.

Molecular Properties

Compound Name3-iodo-5-nitro-3H-pyridin-2-one
PubChem CID73098166
Molecular FormulaC5H3IN2O3
Molecular Weight265.99 g/mol
Exact Mass265.92
IUPAC Name3-iodo-5-nitro-3H-pyridin-2-one
SMILESO=C1N=CC([N+](=O)[O-])=CC1I
InChIInChI=1S/C5H3IN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2,4H
InChIKeyOUSQYGYKJULNFX-UHFFFAOYSA-N
XLogP0.56
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.99
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 3-iodo-5-nitro-3H-pyridin-2-one?
The IUPAC name of 3-iodo-5-nitro-3H-pyridin-2-one (CID 73098166) is 3-iodo-5-nitro-3H-pyridin-2-one.
What is the SMILES notation for 3-iodo-5-nitro-3H-pyridin-2-one?
The canonical SMILES for 3-iodo-5-nitro-3H-pyridin-2-one is O=C1N=CC([N+](=O)[O-])=CC1I.
What is the InChIKey of 3-iodo-5-nitro-3H-pyridin-2-one?
The InChIKey is OUSQYGYKJULNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2,4H.
What are the key properties of 3-iodo-5-nitro-3H-pyridin-2-one?
3-iodo-5-nitro-3H-pyridin-2-one has a molecular weight of 265.99 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-nitro-3H-pyridin-2-one is sourced from PubChem (CID 73098166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).