5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid

C15H20N4O7S2 — CID 164623886

IUPAC5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C13H14N4O.C2H6O6S2/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;3-9(4,5)1-2-10(6,7)8/h3-9,18H,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)/b16-15+;
InChIKeyHUSGMHUNKWJEEW-GEEYTBSJSA-N
MW432.48 g/mol
LogP2.03
Rot. Bonds6

About 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid

5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid (PubChem CID 164623886) has the molecular formula C15H20N4O7S2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid.

Molecular Properties

Compound Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid
PubChem CID164623886
Molecular FormulaC15H20N4O7S2
Molecular Weight432.48 g/mol
Exact Mass432.08
IUPAC Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C13H14N4O.C2H6O6S2/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;3-9(4,5)1-2-10(6,7)8/h3-9,18H,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)/b16-15+;
InChIKeyHUSGMHUNKWJEEW-GEEYTBSJSA-N
XLogP2.03
TPSA169.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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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
Sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
CID 164609085
(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;4-methylbenzenesulfonic acid
CID 164621903
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide
CID 164625058

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid?
The IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid (CID 164623886) is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid.
What is the SMILES notation for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid?
The canonical SMILES for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid is CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)CCS(=O)(=O)O.
What is the InChIKey of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid?
The InChIKey is HUSGMHUNKWJEEW-GEEYTBSJSA-N. The full InChI is InChI=1S/C13H14N4O.C2H6O6S2/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;3-9(4,5)1-2-10(6,7)8/h3-9,18H,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)/b16-15+;.
What are the key properties of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid?
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid has a molecular weight of 432.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid is sourced from PubChem (CID 164623886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).