sodium;hydride;2-nitrobenzoic acid

C7H6NNaO4 — CID 173210089

IUPACsodium;hydride;2-nitrobenzoic acid
SMILESO=C(O)c1ccccc1[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C7H5NO4.Na.H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10);;/q;+1;-1
InChIKeyDJPZFXOGCOYYGE-UHFFFAOYSA-N
MW191.12 g/mol
LogP-1.59
Rot. Bonds2

About sodium;hydride;2-nitrobenzoic acid

sodium;hydride;2-nitrobenzoic acid (PubChem CID 173210089) has the molecular formula C7H6NNaO4 and a molecular weight of 191.12 g/mol. Its IUPAC name is sodium;hydride;2-nitrobenzoic acid.

Molecular Properties

Compound Namesodium;hydride;2-nitrobenzoic acid
PubChem CID173210089
Molecular FormulaC7H6NNaO4
Molecular Weight191.12 g/mol
Exact Mass191.02
IUPAC Namesodium;hydride;2-nitrobenzoic acid
SMILESO=C(O)c1ccccc1[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C7H5NO4.Na.H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10);;/q;+1;-1
InChIKeyDJPZFXOGCOYYGE-UHFFFAOYSA-N
XLogP-1.59
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.12
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-nitrobenzoic acid?
The IUPAC name of sodium;hydride;2-nitrobenzoic acid (CID 173210089) is sodium;hydride;2-nitrobenzoic acid.
What is the SMILES notation for sodium;hydride;2-nitrobenzoic acid?
The canonical SMILES for sodium;hydride;2-nitrobenzoic acid is O=C(O)c1ccccc1[N+](=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;hydride;2-nitrobenzoic acid?
The InChIKey is DJPZFXOGCOYYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.Na.H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;2-nitrobenzoic acid?
sodium;hydride;2-nitrobenzoic acid has a molecular weight of 191.12 g/mol, XLogP of -1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-nitrobenzoic acid is sourced from PubChem (CID 173210089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).