sodium;2,4-dinitronaphthalen-1-olate;dihydrate

C10H9N2NaO7 — CID 5284511

IUPACsodium;2,4-dinitronaphthalen-1-olate;dihydrate
SMILESO.O.O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1[O-].[Na+]
InChIInChI=1S/C10H6N2O5.Na.2H2O/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17;;;/h1-5,13H;;2*1H2/q;+1;;/p-1
InChIKeyJVNMORGBFYVXPH-UHFFFAOYSA-M
MW292.18 g/mol
LogP-2.92
Rot. Bonds2

About sodium;2,4-dinitronaphthalen-1-olate;dihydrate

sodium;2,4-dinitronaphthalen-1-olate;dihydrate (PubChem CID 5284511) has the molecular formula C10H9N2NaO7 and a molecular weight of 292.18 g/mol. Its IUPAC name is sodium;2,4-dinitronaphthalen-1-olate;dihydrate.

Molecular Properties

Compound Namesodium;2,4-dinitronaphthalen-1-olate;dihydrate
PubChem CID5284511
Molecular FormulaC10H9N2NaO7
Molecular Weight292.18 g/mol
Exact Mass292.03
IUPAC Namesodium;2,4-dinitronaphthalen-1-olate;dihydrate
SMILESO.O.O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1[O-].[Na+]
InChIInChI=1S/C10H6N2O5.Na.2H2O/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17;;;/h1-5,13H;;2*1H2/q;+1;;/p-1
InChIKeyJVNMORGBFYVXPH-UHFFFAOYSA-M
XLogP-2.92
TPSA172.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 5-2.92
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of sodium;2,4-dinitronaphthalen-1-olate;dihydrate?
The IUPAC name of sodium;2,4-dinitronaphthalen-1-olate;dihydrate (CID 5284511) is sodium;2,4-dinitronaphthalen-1-olate;dihydrate.
What is the SMILES notation for sodium;2,4-dinitronaphthalen-1-olate;dihydrate?
The canonical SMILES for sodium;2,4-dinitronaphthalen-1-olate;dihydrate is O.O.O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1[O-].[Na+].
What is the InChIKey of sodium;2,4-dinitronaphthalen-1-olate;dihydrate?
The InChIKey is JVNMORGBFYVXPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H6N2O5.Na.2H2O/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17;;;/h1-5,13H;;2*1H2/q;+1;;/p-1.
What are the key properties of sodium;2,4-dinitronaphthalen-1-olate;dihydrate?
sodium;2,4-dinitronaphthalen-1-olate;dihydrate has a molecular weight of 292.18 g/mol, XLogP of -2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,4-dinitronaphthalen-1-olate;dihydrate is sourced from PubChem (CID 5284511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).