sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate

C13H13N4NaO — CID 164609085

IUPACsodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c([O-])c1.[Na+]
InChIInChI=1S/C13H14N4O.Na/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;/h3-9,18H,1-2H3;/q;+1/p-1/b16-15+;
InChIKeyMFTWGEAVJNYREV-GEEYTBSJSA-M
MW264.26 g/mol
LogP-0.36
Rot. Bonds3

About sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate

sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate (PubChem CID 164609085) has the molecular formula C13H13N4NaO and a molecular weight of 264.26 g/mol. Its IUPAC name is sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate.

Molecular Properties

Compound Namesodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
PubChem CID164609085
Molecular FormulaC13H13N4NaO
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Namesodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c([O-])c1.[Na+]
InChIInChI=1S/C13H14N4O.Na/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;/h3-9,18H,1-2H3;/q;+1/p-1/b16-15+;
InChIKeyMFTWGEAVJNYREV-GEEYTBSJSA-M
XLogP-0.36
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-0.36
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'}

Analyze sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-Bromo-2-pyridylazo)-5-(diethylamino)phenol
CID 339622
2-(2-Pyridylazo)-5-dimethylaminophenol
CID 135741596
ERGi-USU-6 mesylate
CID 163198555
(Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164610568
Butanedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164614947
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;sulfuric acid
CID 164615922
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid
CID 164616247
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrochloride
CID 164616673
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;nitric acid
CID 164617591
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid
CID 164623886
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide
CID 164625058
2-(5-Bromo-2-pyridylazo)-5-dimethylaminophenol
CID 135552954

Frequently Asked Questions

What is the IUPAC name of sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate?
The IUPAC name of sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate (CID 164609085) is sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate.
What is the SMILES notation for sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate?
The canonical SMILES for sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate is CN(C)c1ccc(/N=N/c2ccccn2)c([O-])c1.[Na+].
What is the InChIKey of sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate?
The InChIKey is MFTWGEAVJNYREV-GEEYTBSJSA-M. The full InChI is InChI=1S/C13H14N4O.Na/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;/h3-9,18H,1-2H3;/q;+1/p-1/b16-15+;.
What are the key properties of sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate?
sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate has a molecular weight of 264.26 g/mol, XLogP of -0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate is sourced from PubChem (CID 164609085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).