sodium;3,5-dinitrobenzoic acid;hydride

C7H5N2NaO6 — CID 173208447

IUPACsodium;3,5-dinitrobenzoic acid;hydride
SMILESO=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.[H-].[Na+]
InChIInChI=1S/C7H4N2O6.Na.H/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;/h1-3H,(H,10,11);;/q;+1;-1
InChIKeyRLIASKPREIZLQS-UHFFFAOYSA-N
MW236.12 g/mol
LogP-1.68
Rot. Bonds3

About sodium;3,5-dinitrobenzoic acid;hydride

sodium;3,5-dinitrobenzoic acid;hydride (PubChem CID 173208447) has the molecular formula C7H5N2NaO6 and a molecular weight of 236.12 g/mol. Its IUPAC name is sodium;3,5-dinitrobenzoic acid;hydride.

Molecular Properties

Compound Namesodium;3,5-dinitrobenzoic acid;hydride
PubChem CID173208447
Molecular FormulaC7H5N2NaO6
Molecular Weight236.12 g/mol
Exact Mass236.00
IUPAC Namesodium;3,5-dinitrobenzoic acid;hydride
SMILESO=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.[H-].[Na+]
InChIInChI=1S/C7H4N2O6.Na.H/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;/h1-3H,(H,10,11);;/q;+1;-1
InChIKeyRLIASKPREIZLQS-UHFFFAOYSA-N
XLogP-1.68
TPSA123.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of sodium;3,5-dinitrobenzoic acid;hydride?
The IUPAC name of sodium;3,5-dinitrobenzoic acid;hydride (CID 173208447) is sodium;3,5-dinitrobenzoic acid;hydride.
What is the SMILES notation for sodium;3,5-dinitrobenzoic acid;hydride?
The canonical SMILES for sodium;3,5-dinitrobenzoic acid;hydride is O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.[H-].[Na+].
What is the InChIKey of sodium;3,5-dinitrobenzoic acid;hydride?
The InChIKey is RLIASKPREIZLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O6.Na.H/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;/h1-3H,(H,10,11);;/q;+1;-1.
What are the key properties of sodium;3,5-dinitrobenzoic acid;hydride?
sodium;3,5-dinitrobenzoic acid;hydride has a molecular weight of 236.12 g/mol, XLogP of -1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,5-dinitrobenzoic acid;hydride is sourced from PubChem (CID 173208447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).