1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium

C10H8N4O6+2 — CID 123134702

IUPAC1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium
SMILESO=[N+]([O-])c1cc[n+](O)c(-c2cc([N+](=O)[O-])cc[n+]2O)c1
InChIInChI=1S/C10H8N4O6/c15-11-3-1-7(13(17)18)5-9(11)10-6-8(14(19)20)2-4-12(10)16/h1-6,15-16H/q+2
InChIKeyZHVFUEZOIVDJLM-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.22
Rot. Bonds3

About 1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium

1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium (PubChem CID 123134702) has the molecular formula C10H8N4O6+2 and a molecular weight of 280.20 g/mol. Its IUPAC name is 1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium.

Molecular Properties

Compound Name1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium
PubChem CID123134702
Molecular FormulaC10H8N4O6+2
Molecular Weight280.20 g/mol
Exact Mass280.04
IUPAC Name1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium
SMILESO=[N+]([O-])c1cc[n+](O)c(-c2cc([N+](=O)[O-])cc[n+]2O)c1
InChIInChI=1S/C10H8N4O6/c15-11-3-1-7(13(17)18)5-9(11)10-6-8(14(19)20)2-4-12(10)16/h1-6,15-16H/q+2
InChIKeyZHVFUEZOIVDJLM-UHFFFAOYSA-N
XLogP0.22
TPSA134.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium
CID 135953063
2-hydroxy-7-nitroisoquinolin-2-ium
CID 142029956
1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium
CID 23422057
(3-nitrophenyl)phosphanium chloride
CID 159996468
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
1-fluoro-3-nitrobenzene;formic acid
CID 162160799
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
azane;2,4-dinitrophenol;hydrate
CID 174664401
4-nitro-1-oxidopyridin-1-ium;4-(4-nitrophenyl)phenol
CID 139089084
1-methyl-4-(3-nitrophenoxy)pyridin-1-ium
CID 10247796
4-nitrophenol
CID 88714583
1,4-dinitrobenzene;nitrous acid
CID 174371180

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium?
The IUPAC name of 1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium (CID 123134702) is 1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium.
What is the SMILES notation for 1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium?
The canonical SMILES for 1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium is O=[N+]([O-])c1cc[n+](O)c(-c2cc([N+](=O)[O-])cc[n+]2O)c1.
What is the InChIKey of 1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium?
The InChIKey is ZHVFUEZOIVDJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O6/c15-11-3-1-7(13(17)18)5-9(11)10-6-8(14(19)20)2-4-12(10)16/h1-6,15-16H/q+2.
What are the key properties of 1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium?
1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium has a molecular weight of 280.20 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium is sourced from PubChem (CID 123134702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).