silver 2,4,6-trinitropyridine-3-carboxylate

C6HAgN4O8 — CID 175355231

IUPACsilver 2,4,6-trinitropyridine-3-carboxylate
SMILESO=C([O-])c1c([N+](=O)[O-])cc([N+](=O)[O-])nc1[N+](=O)[O-].[Ag+]
InChIInChI=1S/C6H2N4O8.Ag/c11-6(12)4-2(8(13)14)1-3(9(15)16)7-5(4)10(17)18;/h1H,(H,11,12);/q;+1/p-1
InChIKeyRGFKDFOQCDVVFL-UHFFFAOYSA-M
MW364.96 g/mol
LogP-0.83
Rot. Bonds4

About silver 2,4,6-trinitropyridine-3-carboxylate

silver 2,4,6-trinitropyridine-3-carboxylate (PubChem CID 175355231) has the molecular formula C6HAgN4O8 and a molecular weight of 364.96 g/mol. Its IUPAC name is silver 2,4,6-trinitropyridine-3-carboxylate.

Molecular Properties

Compound Namesilver 2,4,6-trinitropyridine-3-carboxylate
PubChem CID175355231
Molecular FormulaC6HAgN4O8
Molecular Weight364.96 g/mol
Exact Mass363.88
IUPAC Namesilver 2,4,6-trinitropyridine-3-carboxylate
SMILESO=C([O-])c1c([N+](=O)[O-])cc([N+](=O)[O-])nc1[N+](=O)[O-].[Ag+]
InChIInChI=1S/C6H2N4O8.Ag/c11-6(12)4-2(8(13)14)1-3(9(15)16)7-5(4)10(17)18;/h1H,(H,11,12);/q;+1/p-1
InChIKeyRGFKDFOQCDVVFL-UHFFFAOYSA-M
XLogP-0.83
TPSA182.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.96
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

N-ethyl-2,4,6-trinitropyridin-3-amine
CID 71424145
2,3-dichloro-4,6-dinitropyridine
CID 71429452
1,3-dinitroisoquinoline
CID 87506157
2,4,6-trinitrobenzoic acid
CID 8518
azane;2,4,6-trinitrobenzoic acid
CID 173315139
potassium 2-amino-6-nitrobenzoate
CID 71764475
6-chloro-5-nitropyridine-2-carboxylate
CID 6974574
2-(3-nitro-4-oxidophenyl)acetate
CID 7058138
2-formyl-6-nitro-4-sulfobenzoic acid
CID 56633697
5-nitrobenzene-1,2,3,4-tetracarboxylic acid
CID 21485314
2-amino-5-nitropyridine-4-carboxylate
CID 71302450
4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid
CID 118823903

Frequently Asked Questions

What is the IUPAC name of silver 2,4,6-trinitropyridine-3-carboxylate?
The IUPAC name of silver 2,4,6-trinitropyridine-3-carboxylate (CID 175355231) is silver 2,4,6-trinitropyridine-3-carboxylate.
What is the SMILES notation for silver 2,4,6-trinitropyridine-3-carboxylate?
The canonical SMILES for silver 2,4,6-trinitropyridine-3-carboxylate is O=C([O-])c1c([N+](=O)[O-])cc([N+](=O)[O-])nc1[N+](=O)[O-].[Ag+].
What is the InChIKey of silver 2,4,6-trinitropyridine-3-carboxylate?
The InChIKey is RGFKDFOQCDVVFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2N4O8.Ag/c11-6(12)4-2(8(13)14)1-3(9(15)16)7-5(4)10(17)18;/h1H,(H,11,12);/q;+1/p-1.
What are the key properties of silver 2,4,6-trinitropyridine-3-carboxylate?
silver 2,4,6-trinitropyridine-3-carboxylate has a molecular weight of 364.96 g/mol, XLogP of -0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for silver 2,4,6-trinitropyridine-3-carboxylate is sourced from PubChem (CID 175355231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).