3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid

C16H11N3O5 — CID 135924030

IUPAC3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(O)c(/N=N/c3ccccc3C(=O)O)c2c1
InChIInChI=1S/C16H11N3O5/c20-14-13(10-7-8(15(21)22)5-6-11(10)17-14)19-18-12-4-2-1-3-9(12)16(23)24/h1-7,17,20H,(H,21,22)(H,23,24)/b19-18+
InChIKeyQLTIVRZPTKZSAE-VHEBQXMUSA-N
MW325.28 g/mol
LogP3.69
Rot. Bonds4

About 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid

3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid (PubChem CID 135924030) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
PubChem CID135924030
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC Name3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(O)c(/N=N/c3ccccc3C(=O)O)c2c1
InChIInChI=1S/C16H11N3O5/c20-14-13(10-7-8(15(21)22)5-6-11(10)17-14)19-18-12-4-2-1-3-9(12)16(23)24/h1-7,17,20H,(H,21,22)(H,23,24)/b19-18+
InChIKeyQLTIVRZPTKZSAE-VHEBQXMUSA-N
XLogP3.69
TPSA135.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.69
H-Bond Donors ≤ 54
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 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid 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

2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-
CID 10177
4-[N'-(2-Oxo-1,2-dihydro-indol-3-ylidene)-hydrazino]-benzoic acid
CID 5033943
Oxindole-Based Inhibitor 56
CID 135434986
(2z,3e)-7'-Bromo-3-(Hydroxyimino)-2'-Oxo-1,1',2',3-Tetrahydro-2,3'-Biindole-5-Carboxylic Acid
CID 135566513
4-[(E)-2-[(6E)-6-[(2-hydroxy-1H-indol-3-yl)methylidene]indazol-3-yl]ethenyl]benzoic acid
CID 135988944
4-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 5049636
4-(2-(5,7-Dimethyl-2-oxoindolin-3-ylidene)hydrazineyl)benzoic acid
CID 5238140
5-Methyl-3-[2-(2-methylphenyl)hydrazinyl]indol-2-one
CID 3091340
5-{[(2-Methylindol-3-ylidene)azamethyl]amino}benzene-1,3-dicarboxylic acid
CID 3495525
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide
CID 3718757
(3Z)-5-methyl-3-(3-oxoindolin-2-ylidene)indolin-2-one
CID 135422898
methyl 2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]diazenyl]-1H-indole-5-carboxylate
CID 136025875

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid?
The IUPAC name of 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid (CID 135924030) is 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]c(O)c(/N=N/c3ccccc3C(=O)O)c2c1.
What is the InChIKey of 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid?
The InChIKey is QLTIVRZPTKZSAE-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11N3O5/c20-14-13(10-7-8(15(21)22)5-6-11(10)17-14)19-18-12-4-2-1-3-9(12)16(23)24/h1-7,17,20H,(H,21,22)(H,23,24)/b19-18+.
What are the key properties of 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid?
3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid has a molecular weight of 325.28 g/mol, XLogP of 3.69, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid is sourced from PubChem (CID 135924030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).