disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate

C11H11N3Na2O4 — CID 2735125

IUPACdisodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate
SMILESO.O.[Na+].[Na+].[O-]c1ccc(/N=N/c2ccccn2)c([O-])c1
InChIInChI=1S/C11H9N3O2.2Na.2H2O/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;;;/h1-7,15-16H;;;2*1H2/q;2*+1;;/p-2/b14-13+;;;;
InChIKeyVEKNNRJLPYCKOU-XURWPRCOSA-L
MW295.21 g/mol
LogP-6.00
Rot. Bonds2

About disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate

disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate (PubChem CID 2735125) has the molecular formula C11H11N3Na2O4 and a molecular weight of 295.21 g/mol. Its IUPAC name is disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate.

Molecular Properties

Compound Namedisodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate
PubChem CID2735125
Molecular FormulaC11H11N3Na2O4
Molecular Weight295.21 g/mol
Exact Mass295.05
IUPAC Namedisodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate
SMILESO.O.[Na+].[Na+].[O-]c1ccc(/N=N/c2ccccn2)c([O-])c1
InChIInChI=1S/C11H9N3O2.2Na.2H2O/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;;;/h1-7,15-16H;;;2*1H2/q;2*+1;;/p-2/b14-13+;;;;
InChIKeyVEKNNRJLPYCKOU-XURWPRCOSA-L
XLogP-6.00
TPSA146.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 5-6.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
CID 172638148
dipyridin-2-yldiazene;osmium
CID 173074203
4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)
CID 158518155
(2-ethoxyphenyl)-pyridin-2-yldiazene
CID 122538186
N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide
CID 102057168
(2,6-dichlorophenyl)-pyridin-2-yldiazene
CID 102225413
chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate
CID 139133163
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
N-(4-methylphenyl)-2-(pyridin-2-yldiazenyl)aniline
CID 15443301
naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene
CID 173000934
N'-amino-N-pyridin-2-yliminomethanimidamide
CID 164575530
(E)-pyridin-2-yliminothiourea
CID 177497182

Frequently Asked Questions

What is the IUPAC name of disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate?
The IUPAC name of disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate (CID 2735125) is disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate.
What is the SMILES notation for disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate?
The canonical SMILES for disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate is O.O.[Na+].[Na+].[O-]c1ccc(/N=N/c2ccccn2)c([O-])c1.
What is the InChIKey of disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate?
The InChIKey is VEKNNRJLPYCKOU-XURWPRCOSA-L. The full InChI is InChI=1S/C11H9N3O2.2Na.2H2O/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;;;/h1-7,15-16H;;;2*1H2/q;2*+1;;/p-2/b14-13+;;;;.
What are the key properties of disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate?
disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate has a molecular weight of 295.21 g/mol, XLogP of -6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate is sourced from PubChem (CID 2735125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).