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

C16H18N4O4 — CID 164611190

IUPAC5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C13H14N4O.C3H4O3/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;1-2(4)3(5)6/h3-9,18H,1-2H3;1H3,(H,5,6)/b16-15+;
InChIKeySHWWPYKGKMUBLA-GEEYTBSJSA-N
MW330.34 g/mol
LogP2.93
Rot. Bonds4

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

5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid (PubChem CID 164611190) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid.

Molecular Properties

Compound Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid
PubChem CID164611190
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C13H14N4O.C3H4O3/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;1-2(4)3(5)6/h3-9,18H,1-2H3;1H3,(H,5,6)/b16-15+;
InChIKeySHWWPYKGKMUBLA-GEEYTBSJSA-N
XLogP2.93
TPSA115.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid?
The IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid (CID 164611190) is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid.
What is the SMILES notation for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid?
The canonical SMILES for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid is CC(=O)C(=O)O.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid?
The InChIKey is SHWWPYKGKMUBLA-GEEYTBSJSA-N. The full InChI is InChI=1S/C13H14N4O.C3H4O3/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;1-2(4)3(5)6/h3-9,18H,1-2H3;1H3,(H,5,6)/b16-15+;.
What are the key properties of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid?
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid has a molecular weight of 330.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid is sourced from PubChem (CID 164611190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).