5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid

C15H16N4O5 — CID 164616247

IUPAC5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=C(O)C(=O)O
InChIInChI=1S/C13H14N4O.C2H2O4/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;3-1(4)2(5)6/h3-9,18H,1-2H3;(H,3,4)(H,5,6)/b16-15+;
InChIKeyHIAVOBGWISOYNV-GEEYTBSJSA-N
MW332.32 g/mol
LogP2.42
Rot. Bonds3

About 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid

5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid (PubChem CID 164616247) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid.

Molecular Properties

Compound Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid
PubChem CID164616247
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=C(O)C(=O)O
InChIInChI=1S/C13H14N4O.C2H2O4/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;3-1(4)2(5)6/h3-9,18H,1-2H3;(H,3,4)(H,5,6)/b16-15+;
InChIKeyHIAVOBGWISOYNV-GEEYTBSJSA-N
XLogP2.42
TPSA135.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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;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
Benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164627541

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid?
The IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid (CID 164616247) is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid.
What is the SMILES notation for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid?
The canonical SMILES for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid is CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=C(O)C(=O)O.
What is the InChIKey of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid?
The InChIKey is HIAVOBGWISOYNV-GEEYTBSJSA-N. The full InChI is InChI=1S/C13H14N4O.C2H2O4/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;3-1(4)2(5)6/h3-9,18H,1-2H3;(H,3,4)(H,5,6)/b16-15+;.
What are the key properties of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid?
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid has a molecular weight of 332.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid is sourced from PubChem (CID 164616247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).