5-nitro-6-oxo-1H-pyridine-3-carboxamide

C6H5N3O4 — CID 18509757

IUPAC5-nitro-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H5N3O4/c7-5(10)3-1-4(9(12)13)6(11)8-2-3/h1-2H,(H2,7,10)(H,8,11)
InChIKeyZVVBQVUJLHSPHV-UHFFFAOYSA-N
MW183.12 g/mol
LogP-0.62
Rot. Bonds2

About 5-nitro-6-oxo-1H-pyridine-3-carboxamide

5-nitro-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 18509757) has the molecular formula C6H5N3O4 and a molecular weight of 183.12 g/mol. Its IUPAC name is 5-nitro-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-6-oxo-1H-pyridine-3-carboxamide
PubChem CID18509757
Molecular FormulaC6H5N3O4
Molecular Weight183.12 g/mol
Exact Mass183.03
IUPAC Name5-nitro-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H5N3O4/c7-5(10)3-1-4(9(12)13)6(11)8-2-3/h1-2H,(H2,7,10)(H,8,11)
InChIKeyZVVBQVUJLHSPHV-UHFFFAOYSA-N
XLogP-0.62
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 5-0.62
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-nitro-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-nitro-6-oxo-1H-pyridine-3-carboxamide (CID 18509757) is 5-nitro-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZVVBQVUJLHSPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O4/c7-5(10)3-1-4(9(12)13)6(11)8-2-3/h1-2H,(H2,7,10)(H,8,11).
What are the key properties of 5-nitro-6-oxo-1H-pyridine-3-carboxamide?
5-nitro-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 183.12 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18509757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).