1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium

C10H7N4O6+ — CID 135953063

IUPAC1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium
SMILESO=[N+]([O-])c1cc[n+]([O-])c(-c2cc([N+](=O)[O-])cc[n+]2O)c1
InChIInChI=1S/C10H7N4O6/c15-11-3-1-7(13(17)18)5-9(11)10-6-8(14(19)20)2-4-12(10)16/h1-6,15H/q+1
InChIKeyWXNZXNOYJCKSDV-UHFFFAOYSA-N
MW279.19 g/mol
LogP0.33
Rot. Bonds3

About 1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium

1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium (PubChem CID 135953063) has the molecular formula C10H7N4O6+ and a molecular weight of 279.19 g/mol. Its IUPAC name is 1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium
PubChem CID135953063
Molecular FormulaC10H7N4O6+
Molecular Weight279.19 g/mol
Exact Mass279.04
IUPAC Name1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium
SMILESO=[N+]([O-])c1cc[n+]([O-])c(-c2cc([N+](=O)[O-])cc[n+]2O)c1
InChIInChI=1S/C10H7N4O6/c15-11-3-1-7(13(17)18)5-9(11)10-6-8(14(19)20)2-4-12(10)16/h1-6,15H/q+1
InChIKeyWXNZXNOYJCKSDV-UHFFFAOYSA-N
XLogP0.33
TPSA137.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'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-2-(1-hydroxy-4-nitropyridin-1-ium-2-yl)-4-nitropyridin-1-ium
CID 123134702
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CID 142029956
4-(3-nitrophenyl)-2,6-bis(1-oxidopyridin-1-ium-2-yl)pyridine
CID 54458000
1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium
CID 23422057
2,6-difluoro-4-nitro-1-oxidopyridin-1-ium
CID 102148866
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CID 139089084
N,N-dihydroxy-2-methyl-5-nitroaniline
CID 87329382
1-bromo-3-nitrobenzene;zinc
CID 159421870
(3-nitrophenyl)phosphanium chloride
CID 159996468
2,4-dinitrophenol;4-methyl-1-oxidopyridin-1-ium
CID 139124088
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
1-chloro-4-nitro-2-propan-2-ylbenzene
CID 21051004

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium?
The IUPAC name of 1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium (CID 135953063) is 1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium?
The canonical SMILES for 1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-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-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium?
The InChIKey is WXNZXNOYJCKSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N4O6/c15-11-3-1-7(13(17)18)5-9(11)10-6-8(14(19)20)2-4-12(10)16/h1-6,15H/q+1.
What are the key properties of 1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium?
1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium has a molecular weight of 279.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-nitro-2-(4-nitro-1-oxidopyridin-1-ium-2-yl)pyridin-1-ium is sourced from PubChem (CID 135953063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).