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

C11H8N3NaO2 — CID 135581719

IUPACsodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate
SMILES[Na+].[O-]c1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C11H9N3O2.Na/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+1/p-1/b14-13+;
InChIKeyKZRPHCQLJZXMJV-IERUDJENSA-M
MW237.19 g/mol
LogP-0.72
Rot. Bonds2

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

sodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate (PubChem CID 135581719) has the molecular formula C11H8N3NaO2 and a molecular weight of 237.19 g/mol. Its IUPAC name is sodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate.

Molecular Properties

Compound Namesodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate
PubChem CID135581719
Molecular FormulaC11H8N3NaO2
Molecular Weight237.19 g/mol
Exact Mass237.05
IUPAC Namesodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate
SMILES[Na+].[O-]c1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C11H9N3O2.Na/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+1/p-1/b14-13+;
InChIKeyKZRPHCQLJZXMJV-IERUDJENSA-M
XLogP-0.72
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 5-0.72
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 monohydrate
CID 135442939
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?
The IUPAC name of sodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate (CID 135581719) is sodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate.
What is the SMILES notation for sodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate?
The canonical SMILES for sodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate is [Na+].[O-]c1ccc(/N=N/c2ccccn2)c(O)c1.
What is the InChIKey of sodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate?
The InChIKey is KZRPHCQLJZXMJV-IERUDJENSA-M. The full InChI is InChI=1S/C11H9N3O2.Na/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+1/p-1/b14-13+;.
What are the key properties of sodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate?
sodium 3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate has a molecular weight of 237.19 g/mol, XLogP of -0.72, 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 is sourced from PubChem (CID 135581719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).