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

C10H10N4O4 — CID 158082863

IUPAC5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one
SMILESNc1ccc(=O)[nH]c1.O=c1ccc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C5H4N2O3.C5H6N2O/c8-5-2-1-4(3-6-5)7(9)10;6-4-1-2-5(8)7-3-4/h1-3H,(H,6,8);1-3H,6H2,(H,7,8)
InChIKeyFNDYWNZHVBINPU-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.24
Rot. Bonds1

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

5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one (PubChem CID 158082863) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one
PubChem CID158082863
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one
SMILESNc1ccc(=O)[nH]c1.O=c1ccc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C5H4N2O3.C5H6N2O/c8-5-2-1-4(3-6-5)7(9)10;6-4-1-2-5(8)7-3-4/h1-3H,(H,6,8);1-3H,6H2,(H,7,8)
InChIKeyFNDYWNZHVBINPU-UHFFFAOYSA-N
XLogP0.24
TPSA134.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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CID 5376981
5-amino-6-nitro-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one?
The IUPAC name of 5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one (CID 158082863) is 5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one is Nc1ccc(=O)[nH]c1.O=c1ccc([N+](=O)[O-])c[nH]1.
What is the InChIKey of 5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one?
The InChIKey is FNDYWNZHVBINPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3.C5H6N2O/c8-5-2-1-4(3-6-5)7(9)10;6-4-1-2-5(8)7-3-4/h1-3H,(H,6,8);1-3H,6H2,(H,7,8).
What are the key properties of 5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one?
5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one has a molecular weight of 250.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1H-pyridin-2-one;5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 158082863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).