5-amino-6-nitro-1H-pyridin-2-one

C5H5N3O3 — CID 13077419

IUPAC5-amino-6-nitro-1H-pyridin-2-one
SMILESNc1ccc(=O)[nH]c1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O3/c6-3-1-2-4(9)7-5(3)8(10)11/h1-2H,6H2,(H,7,9)
InChIKeyDZWIZKADICCECV-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.13
Rot. Bonds1

About 5-amino-6-nitro-1H-pyridin-2-one

5-amino-6-nitro-1H-pyridin-2-one (PubChem CID 13077419) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 5-amino-6-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-6-nitro-1H-pyridin-2-one
PubChem CID13077419
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name5-amino-6-nitro-1H-pyridin-2-one
SMILESNc1ccc(=O)[nH]c1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O3/c6-3-1-2-4(9)7-5(3)8(10)11/h1-2H,6H2,(H,7,9)
InChIKeyDZWIZKADICCECV-UHFFFAOYSA-N
XLogP-0.13
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
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 5-amino-6-nitro-1H-pyridin-2-one?
The IUPAC name of 5-amino-6-nitro-1H-pyridin-2-one (CID 13077419) is 5-amino-6-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-6-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-amino-6-nitro-1H-pyridin-2-one is Nc1ccc(=O)[nH]c1[N+](=O)[O-].
What is the InChIKey of 5-amino-6-nitro-1H-pyridin-2-one?
The InChIKey is DZWIZKADICCECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-3-1-2-4(9)7-5(3)8(10)11/h1-2H,6H2,(H,7,9).
What are the key properties of 5-amino-6-nitro-1H-pyridin-2-one?
5-amino-6-nitro-1H-pyridin-2-one has a molecular weight of 155.11 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-nitro-1H-pyridin-2-one is sourced from PubChem (CID 13077419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).