2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid

C8H10N4O6S — CID 114194432

IUPAC2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
SMILESNS(=O)(=O)CCNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C8H10N4O6S/c9-19(17,18)2-1-10-6-4-11-7(12(15)16)3-5(6)8(13)14/h3-4,10H,1-2H2,(H,13,14)(H2,9,17,18)
InChIKeyYYSJLUPUQGCWRH-UHFFFAOYSA-N
MW290.26 g/mol
LogP-0.61
Rot. Bonds6

About 2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid

2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid (PubChem CID 114194432) has the molecular formula C8H10N4O6S and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
PubChem CID114194432
Molecular FormulaC8H10N4O6S
Molecular Weight290.26 g/mol
Exact Mass290.03
IUPAC Name2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
SMILESNS(=O)(=O)CCNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C8H10N4O6S/c9-19(17,18)2-1-10-6-4-11-7(12(15)16)3-5(6)8(13)14/h3-4,10H,1-2H2,(H,13,14)(H2,9,17,18)
InChIKeyYYSJLUPUQGCWRH-UHFFFAOYSA-N
XLogP-0.61
TPSA165.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-nitro-5-(3,3,3-trifluoropropylamino)pyridine-4-carboxylic acid
CID 114194485
2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid
CID 114194514
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194558
5-(3-methylsulfinylpropylamino)-2-nitropyridine-4-carboxylic acid
CID 114194524
5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194513
N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide
CID 114195863
5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid
CID 114194554
5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
2-(2-sulfamoylethylamino)benzoic acid
CID 62231211
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
2-(2-nitroanilino)ethanesulfonamide
CID 43552409
4-nitro-3-(3-sulfamoylpropylamino)benzoic acid
CID 82783956

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid (CID 114194432) is 2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid is NS(=O)(=O)CCNc1cnc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid?
The InChIKey is YYSJLUPUQGCWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O6S/c9-19(17,18)2-1-10-6-4-11-7(12(15)16)3-5(6)8(13)14/h3-4,10H,1-2H2,(H,13,14)(H2,9,17,18).
What are the key properties of 2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid?
2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid has a molecular weight of 290.26 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114194432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).