5-amino-2-nitropyridine-4-carboxylic acid

C6H5N3O4 — CID 127018665

IUPAC5-amino-2-nitropyridine-4-carboxylic acid
SMILESNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C6H5N3O4/c7-4-2-8-5(9(12)13)1-3(4)6(10)11/h1-2H,7H2,(H,10,11)
InChIKeyNAWGAWRZWXINIA-UHFFFAOYSA-N
MW183.12 g/mol
LogP0.27
Rot. Bonds2

About 5-amino-2-nitropyridine-4-carboxylic acid

5-amino-2-nitropyridine-4-carboxylic acid (PubChem CID 127018665) has the molecular formula C6H5N3O4 and a molecular weight of 183.12 g/mol. Its IUPAC name is 5-amino-2-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-nitropyridine-4-carboxylic acid
PubChem CID127018665
Molecular FormulaC6H5N3O4
Molecular Weight183.12 g/mol
Exact Mass183.03
IUPAC Name5-amino-2-nitropyridine-4-carboxylic acid
SMILESNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C6H5N3O4/c7-4-2-8-5(9(12)13)1-3(4)6(10)11/h1-2H,7H2,(H,10,11)
InChIKeyNAWGAWRZWXINIA-UHFFFAOYSA-N
XLogP0.27
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 50.27
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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Related Compounds

5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide
CID 114195860
(5-amino-2-nitro-4-pyridinyl)-(4-benzylpiperazin-1-yl)methanone
CID 114195848
5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide
CID 114195884
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194558
2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 114194432
5-(4-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid
CID 114194117
2-nitro-5-(3,3,3-trifluoropropylamino)pyridine-4-carboxylic acid
CID 114194485
5-[cyclopropyl(ethyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194423
5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194513
5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid
CID 114194120
2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid
CID 114194514
5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid
CID 114194554

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-nitropyridine-4-carboxylic acid?
The IUPAC name of 5-amino-2-nitropyridine-4-carboxylic acid (CID 127018665) is 5-amino-2-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-nitropyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-nitropyridine-4-carboxylic acid is Nc1cnc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 5-amino-2-nitropyridine-4-carboxylic acid?
The InChIKey is NAWGAWRZWXINIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O4/c7-4-2-8-5(9(12)13)1-3(4)6(10)11/h1-2H,7H2,(H,10,11).
What are the key properties of 5-amino-2-nitropyridine-4-carboxylic acid?
5-amino-2-nitropyridine-4-carboxylic acid has a molecular weight of 183.12 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 127018665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).