4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid

C15H11N3O3 — CID 5033943

IUPAC4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C15H11N3O3/c19-14-13(11-3-1-2-4-12(11)16-14)18-17-10-7-5-9(6-8-10)15(20)21/h1-8,16,19H,(H,20,21)/b18-17+
InChIKeyOWTAUHUKDHBIIV-ISLYRVAYSA-N
MW281.27 g/mol
LogP3.99
Rot. Bonds3

About 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid

4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid (PubChem CID 5033943) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
PubChem CID5033943
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C15H11N3O3/c19-14-13(11-3-1-2-4-12(11)16-14)18-17-10-7-5-9(6-8-10)15(20)21/h1-8,16,19H,(H,20,21)/b18-17+
InChIKeyOWTAUHUKDHBIIV-ISLYRVAYSA-N
XLogP3.99
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
The IUPAC name of 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid (CID 5033943) is 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid is O=C(O)c1ccc(/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
The InChIKey is OWTAUHUKDHBIIV-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-14-13(11-3-1-2-4-12(11)16-14)18-17-10-7-5-9(6-8-10)15(20)21/h1-8,16,19H,(H,20,21)/b18-17+.
What are the key properties of 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid has a molecular weight of 281.27 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid is sourced from PubChem (CID 5033943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).