lithium 2,5-dihydroxybenzoate

C7H5LiO4 — CID 55251260

IUPAClithium 2,5-dihydroxybenzoate
SMILESO=C([O-])c1cc(O)ccc1O.[Li+]
InChIInChI=1S/C7H6O4.Li/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1
InChIKeyJWJQXDRUZXWVQB-UHFFFAOYSA-M
MW160.05 g/mol
LogP-3.53
Rot. Bonds1

About lithium 2,5-dihydroxybenzoate

lithium 2,5-dihydroxybenzoate (PubChem CID 55251260) has the molecular formula C7H5LiO4 and a molecular weight of 160.05 g/mol. Its IUPAC name is lithium 2,5-dihydroxybenzoate.

Molecular Properties

Compound Namelithium 2,5-dihydroxybenzoate
PubChem CID55251260
Molecular FormulaC7H5LiO4
Molecular Weight160.05 g/mol
Exact Mass160.03
IUPAC Namelithium 2,5-dihydroxybenzoate
SMILESO=C([O-])c1cc(O)ccc1O.[Li+]
InChIInChI=1S/C7H6O4.Li/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1
InChIKeyJWJQXDRUZXWVQB-UHFFFAOYSA-M
XLogP-3.53
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.05
LogP ≤ 5-3.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
potassium 2-hydroxy-5-methylbenzoate
CID 67847974
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
2,5-dihydroxybenzoic acid;methanol
CID 174970806
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
dipotassium;5-[(3-carboxylato-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 22945073
cesium 2-amino-4-hydroxybenzoate
CID 23687369
cadmium(2+);2-carboxy-4-hydroxyphenolate;2,5-dihydroxybenzoate;bis(1,10-phenanthroline);dihydrate
CID 139074915
lithium;2-hydroxybenzoate;oxalic acid
CID 172798390
1-(2,5-dihydroxyphenyl)-3-methylbut-2-en-1-one
CID 86168329
tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate
CID 139073121
1-(2,5-dihydroxyphenyl)-2-(methylamino)ethanone
CID 117278643

Frequently Asked Questions

What is the IUPAC name of lithium 2,5-dihydroxybenzoate?
The IUPAC name of lithium 2,5-dihydroxybenzoate (CID 55251260) is lithium 2,5-dihydroxybenzoate.
What is the SMILES notation for lithium 2,5-dihydroxybenzoate?
The canonical SMILES for lithium 2,5-dihydroxybenzoate is O=C([O-])c1cc(O)ccc1O.[Li+].
What is the InChIKey of lithium 2,5-dihydroxybenzoate?
The InChIKey is JWJQXDRUZXWVQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O4.Li/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 2,5-dihydroxybenzoate?
lithium 2,5-dihydroxybenzoate has a molecular weight of 160.05 g/mol, XLogP of -3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,5-dihydroxybenzoate is sourced from PubChem (CID 55251260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).