4-amino-3-nitro-3H-pyridin-2-one

C5H5N3O3 — CID 72739148

IUPAC4-amino-3-nitro-3H-pyridin-2-one
SMILESNC1=CC=NC(=O)C1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2,4H,6H2
InChIKeyYFQOEKOFBARNTL-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.91
Rot. Bonds1

About 4-amino-3-nitro-3H-pyridin-2-one

4-amino-3-nitro-3H-pyridin-2-one (PubChem CID 72739148) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 4-amino-3-nitro-3H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-nitro-3H-pyridin-2-one
PubChem CID72739148
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name4-amino-3-nitro-3H-pyridin-2-one
SMILESNC1=CC=NC(=O)C1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2,4H,6H2
InChIKeyYFQOEKOFBARNTL-UHFFFAOYSA-N
XLogP-0.91
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-amino-3-nitro-3H-pyridin-2-one?
The IUPAC name of 4-amino-3-nitro-3H-pyridin-2-one (CID 72739148) is 4-amino-3-nitro-3H-pyridin-2-one.
What is the SMILES notation for 4-amino-3-nitro-3H-pyridin-2-one?
The canonical SMILES for 4-amino-3-nitro-3H-pyridin-2-one is NC1=CC=NC(=O)C1[N+](=O)[O-].
What is the InChIKey of 4-amino-3-nitro-3H-pyridin-2-one?
The InChIKey is YFQOEKOFBARNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2,4H,6H2.
What are the key properties of 4-amino-3-nitro-3H-pyridin-2-one?
4-amino-3-nitro-3H-pyridin-2-one has a molecular weight of 155.11 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-nitro-3H-pyridin-2-one is sourced from PubChem (CID 72739148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).