6-amino-5-nitropyridin-1-ium-3-sulfonate

C5H5N3O5S — CID 26337951

IUPAC6-amino-5-nitropyridin-1-ium-3-sulfonate
SMILESNc1[nH+]cc(S(=O)(=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O5S/c6-5-4(8(9)10)1-3(2-7-5)14(11,12)13/h1-2H,(H2,6,7)(H,11,12,13)
InChIKeyQUVFMPNHCPUDJB-UHFFFAOYSA-N
MW219.18 g/mol
LogP-1.10
Rot. Bonds2

About 6-amino-5-nitropyridin-1-ium-3-sulfonate

6-amino-5-nitropyridin-1-ium-3-sulfonate (PubChem CID 26337951) has the molecular formula C5H5N3O5S and a molecular weight of 219.18 g/mol. Its IUPAC name is 6-amino-5-nitropyridin-1-ium-3-sulfonate.

Molecular Properties

Compound Name6-amino-5-nitropyridin-1-ium-3-sulfonate
PubChem CID26337951
Molecular FormulaC5H5N3O5S
Molecular Weight219.18 g/mol
Exact Mass218.99
IUPAC Name6-amino-5-nitropyridin-1-ium-3-sulfonate
SMILESNc1[nH+]cc(S(=O)(=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O5S/c6-5-4(8(9)10)1-3(2-7-5)14(11,12)13/h1-2H,(H2,6,7)(H,11,12,13)
InChIKeyQUVFMPNHCPUDJB-UHFFFAOYSA-N
XLogP-1.10
TPSA140.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-amino-5-nitropyridin-1-ium-3-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-hydroxy-5-nitrobenzenesulfonate
CID 5144731
3-nitro-4-oxidobenzenesulfonate
CID 3325460
sodium 4-methyl-3,5-dinitrobenzenesulfonate
CID 14323984
hydrogen sulfate;tetrakis(3-nitropyridin-1-ium-2-amine)
CID 139064627
2-(3,4-dinitrophenyl)sulfonylbenzene-1,3-diamine
CID 175082935
4-methylsulfonyl-2,6-dinitroaniline
CID 3715196
4-amino-3,5-dinitrobenzenesulfonic acid
CID 3562834
sodium 3-chloro-4,5-dinitrobenzenesulfonate
CID 101305520
3-nitro-4-propan-2-ylbenzenesulfonate
CID 58734670
nickel(2+);bis(2,4,6-trinitrobenzenesulfonate)
CID 517494
potassium;4-chloro-3-nitrobenzenesulfonate;4-chloro-3-nitrobenzenesulfonyl chloride
CID 159793173
4-amino-3-nitronaphthalene-1-sulfonate
CID 3724521

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-nitropyridin-1-ium-3-sulfonate?
The IUPAC name of 6-amino-5-nitropyridin-1-ium-3-sulfonate (CID 26337951) is 6-amino-5-nitropyridin-1-ium-3-sulfonate.
What is the SMILES notation for 6-amino-5-nitropyridin-1-ium-3-sulfonate?
The canonical SMILES for 6-amino-5-nitropyridin-1-ium-3-sulfonate is Nc1[nH+]cc(S(=O)(=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 6-amino-5-nitropyridin-1-ium-3-sulfonate?
The InChIKey is QUVFMPNHCPUDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O5S/c6-5-4(8(9)10)1-3(2-7-5)14(11,12)13/h1-2H,(H2,6,7)(H,11,12,13).
What are the key properties of 6-amino-5-nitropyridin-1-ium-3-sulfonate?
6-amino-5-nitropyridin-1-ium-3-sulfonate has a molecular weight of 219.18 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-nitropyridin-1-ium-3-sulfonate is sourced from PubChem (CID 26337951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).