sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate

C11H10N3NaO3 — CID 135442939

IUPACsodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate
SMILESO.[Na+].[O-]c1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C11H9N3O2.Na.H2O/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;/h1-7,15-16H;;1H2/q;+1;/p-1/b14-13+;;
InChIKeyKMHFHNVYQMFVAN-QDBORUFSSA-M
MW255.21 g/mol
LogP-1.54
Rot. Bonds2

About sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate

sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate (PubChem CID 135442939) has the molecular formula C11H10N3NaO3 and a molecular weight of 255.21 g/mol. Its IUPAC name is sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate.

Molecular Properties

Compound Namesodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate
PubChem CID135442939
Molecular FormulaC11H10N3NaO3
Molecular Weight255.21 g/mol
Exact Mass255.06
IUPAC Namesodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate
SMILESO.[Na+].[O-]c1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C11H9N3O2.Na.H2O/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;/h1-7,15-16H;;1H2/q;+1;/p-1/b14-13+;;
InChIKeyKMHFHNVYQMFVAN-QDBORUFSSA-M
XLogP-1.54
TPSA112.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
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

Lipase, triacylglycerol
CID 135534490
2-(2-Pyridylazo)-5-dimethylaminophenol
CID 135741596
4-(2-Pyridylazo)resorcinol
CID 65069
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrochloride
CID 164616673
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide
CID 164625058
2-(Pyridin-2-ylamino)phenol
CID 242279
3-[[2,4-Dihydroxy]phenyl]azo-pyridine
CID 611991
Sodium 4-(2-pyridylazo)resorcinol
CID 135581719
3-(Diethylamino)-6-[2-(pyridin-2-yl)hydrazinylidene]cyclohexa-2,4-dien-1-one
CID 112937
CID 135887837
CID 135887837
4-[2-(Pyridin-2-yl)hydrazinylidene]cyclohexa-2,5-dien-1-one
CID 135707801
6-[2-(Pyridin-2-yl)hydrazinylidene]cyclohexa-2,4-dien-1-one
CID 135773305

Frequently Asked Questions

What is the IUPAC name of sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate?
The IUPAC name of sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate (CID 135442939) is sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate.
What is the SMILES notation for sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate?
The canonical SMILES for sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate is O.[Na+].[O-]c1ccc(/N=N/c2ccccn2)c(O)c1.
What is the InChIKey of sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate?
The InChIKey is KMHFHNVYQMFVAN-QDBORUFSSA-M. The full InChI is InChI=1S/C11H9N3O2.Na.H2O/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;/h1-7,15-16H;;1H2/q;+1;/p-1/b14-13+;;.
What are the key properties of sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate?
sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate has a molecular weight of 255.21 g/mol, XLogP of -1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate is sourced from PubChem (CID 135442939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).