2-amino-5-nitropyridine-4-carboxamide

C6H6N4O3 — CID 19034952

IUPAC2-amino-5-nitropyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O3/c7-5-1-3(6(8)11)4(2-9-5)10(12)13/h1-2H,(H2,7,9)(H2,8,11)
InChIKeyPIXFMPDJWWBJKR-UHFFFAOYSA-N
MW182.14 g/mol
LogP-0.33
Rot. Bonds2

About 2-amino-5-nitropyridine-4-carboxamide

2-amino-5-nitropyridine-4-carboxamide (PubChem CID 19034952) has the molecular formula C6H6N4O3 and a molecular weight of 182.14 g/mol. Its IUPAC name is 2-amino-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-nitropyridine-4-carboxamide
PubChem CID19034952
Molecular FormulaC6H6N4O3
Molecular Weight182.14 g/mol
Exact Mass182.04
IUPAC Name2-amino-5-nitropyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O3/c7-5-1-3(6(8)11)4(2-9-5)10(12)13/h1-2H,(H2,7,9)(H2,8,11)
InChIKeyPIXFMPDJWWBJKR-UHFFFAOYSA-N
XLogP-0.33
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-amino-5-nitropyridine-4-carboxamide (CID 19034952) is 2-amino-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-nitropyridine-4-carboxamide is NC(=O)c1cc(N)ncc1[N+](=O)[O-].
What is the InChIKey of 2-amino-5-nitropyridine-4-carboxamide?
The InChIKey is PIXFMPDJWWBJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O3/c7-5-1-3(6(8)11)4(2-9-5)10(12)13/h1-2H,(H2,7,9)(H2,8,11).
What are the key properties of 2-amino-5-nitropyridine-4-carboxamide?
2-amino-5-nitropyridine-4-carboxamide has a molecular weight of 182.14 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 19034952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).