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

C5H5N3O3 — CID 19034904

IUPAC2-amino-3-nitro-1H-pyridin-4-one
SMILESNc1[nH]ccc(=O)c1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O3/c6-5-4(8(10)11)3(9)1-2-7-5/h1-2H,(H3,6,7,9)
InChIKeyJDZDUOMAESTAMI-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.13
Rot. Bonds1

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

2-amino-3-nitro-1H-pyridin-4-one (PubChem CID 19034904) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 2-amino-3-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-3-nitro-1H-pyridin-4-one
PubChem CID19034904
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name2-amino-3-nitro-1H-pyridin-4-one
SMILESNc1[nH]ccc(=O)c1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O3/c6-5-4(8(10)11)3(9)1-2-7-5/h1-2H,(H3,6,7,9)
InChIKeyJDZDUOMAESTAMI-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 2-amino-3-nitro-1H-pyridin-4-one?
The IUPAC name of 2-amino-3-nitro-1H-pyridin-4-one (CID 19034904) is 2-amino-3-nitro-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-3-nitro-1H-pyridin-4-one?
The canonical SMILES for 2-amino-3-nitro-1H-pyridin-4-one is Nc1[nH]ccc(=O)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-nitro-1H-pyridin-4-one?
The InChIKey is JDZDUOMAESTAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-5-4(8(10)11)3(9)1-2-7-5/h1-2H,(H3,6,7,9).
What are the key properties of 2-amino-3-nitro-1H-pyridin-4-one?
2-amino-3-nitro-1H-pyridin-4-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 2-amino-3-nitro-1H-pyridin-4-one is sourced from PubChem (CID 19034904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).