lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid

C10H7LiN2O8S — CID 173446048

IUPAClithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)O)cc2c1O.[H-].[Li+]
InChIInChI=1S/C10H6N2O8S.Li.H/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h1-4,13H,(H,18,19,20);;/q;+1;-1
InChIKeyANSWXTIXQRIHHI-UHFFFAOYSA-N
MW322.18 g/mol
LogP-1.27
Rot. Bonds3

About lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid

lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid (PubChem CID 173446048) has the molecular formula C10H7LiN2O8S and a molecular weight of 322.18 g/mol. Its IUPAC name is lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid.

Molecular Properties

Compound Namelithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid
PubChem CID173446048
Molecular FormulaC10H7LiN2O8S
Molecular Weight322.18 g/mol
Exact Mass322.01
IUPAC Namelithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)O)cc2c1O.[H-].[Li+]
InChIInChI=1S/C10H6N2O8S.Li.H/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h1-4,13H,(H,18,19,20);;/q;+1;-1
InChIKeyANSWXTIXQRIHHI-UHFFFAOYSA-N
XLogP-1.27
TPSA160.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dinitrobenzenesulfonic acid
CID 21271067
potassium 4-chloro-3-nitrobenzenesulfonic acid
CID 54600427
azane;3-chloro-4-hydroxy-5-nitrobenzenesulfonic acid
CID 170846694
6-amino-8-nitronaphthalene-2-sulfonic acid
CID 118985201
4-hydroxy-3-nitronaphthalene-1-sulfonic acid
CID 3018258
5,6-DIHYDROXY-8-(2-NITROPHENYLTHIO)-2-NAPHTHALENESULFONIC ACID, SODIUM SALT
CID 126960681
disodium bis(2-nitro-5-sulfobenzoate)
CID 166065535
4-amino-3,5-dinitrobenzenesulfonic acid
CID 3562834
1,4-dihydroxynaphthalene-2,7-disulfonic acid
CID 151440916
potassium 4-chloro-3,5-dinitrobenzenesulfonic acid
CID 54600157
CID 131880892
CID 131880892
2,6-dinitro-4-(trifluoromethylsulfonyl)phenol
CID 15607727

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid?
The IUPAC name of lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid (CID 173446048) is lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid.
What is the SMILES notation for lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid?
The canonical SMILES for lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid is O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)O)cc2c1O.[H-].[Li+].
What is the InChIKey of lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid?
The InChIKey is ANSWXTIXQRIHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O8S.Li.H/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h1-4,13H,(H,18,19,20);;/q;+1;-1.
What are the key properties of lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid?
lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid has a molecular weight of 322.18 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid is sourced from PubChem (CID 173446048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).