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

C5H4N2O3 — CID 7156909

IUPAC5-nitro-3H-pyridin-2-one
SMILESO=C1CC=C([N+](=O)[O-])C=N1
InChIInChI=1S/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1,3H,2H2
InChIKeyDEGIFPOFXLGULA-UHFFFAOYSA-N
MW140.10 g/mol
LogP0.15
Rot. Bonds1

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

5-nitro-3H-pyridin-2-one (PubChem CID 7156909) has the molecular formula C5H4N2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is 5-nitro-3H-pyridin-2-one.

Molecular Properties

Compound Name5-nitro-3H-pyridin-2-one
PubChem CID7156909
Molecular FormulaC5H4N2O3
Molecular Weight140.10 g/mol
Exact Mass140.02
IUPAC Name5-nitro-3H-pyridin-2-one
SMILESO=C1CC=C([N+](=O)[O-])C=N1
InChIInChI=1S/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1,3H,2H2
InChIKeyDEGIFPOFXLGULA-UHFFFAOYSA-N
XLogP0.15
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 5-nitro-3H-pyridin-2-one?
The IUPAC name of 5-nitro-3H-pyridin-2-one (CID 7156909) is 5-nitro-3H-pyridin-2-one.
What is the SMILES notation for 5-nitro-3H-pyridin-2-one?
The canonical SMILES for 5-nitro-3H-pyridin-2-one is O=C1CC=C([N+](=O)[O-])C=N1.
What is the InChIKey of 5-nitro-3H-pyridin-2-one?
The InChIKey is DEGIFPOFXLGULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1,3H,2H2.
What are the key properties of 5-nitro-3H-pyridin-2-one?
5-nitro-3H-pyridin-2-one has a molecular weight of 140.10 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3H-pyridin-2-one is sourced from PubChem (CID 7156909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).