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

C16H11N3O5 — CID 135924021

IUPAC3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
SMILESO=C(O)c1cccc(/N=N/c2c(O)[nH]c3ccc(C(=O)O)cc23)c1
InChIInChI=1S/C16H11N3O5/c20-14-13(11-7-9(16(23)24)4-5-12(11)17-14)19-18-10-3-1-2-8(6-10)15(21)22/h1-7,17,20H,(H,21,22)(H,23,24)/b19-18+
InChIKeyBXUVARZUCDCENH-VHEBQXMUSA-N
MW325.28 g/mol
LogP3.69
Rot. Bonds4

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

3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid (PubChem CID 135924021) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is 3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
PubChem CID135924021
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC Name3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
SMILESO=C(O)c1cccc(/N=N/c2c(O)[nH]c3ccc(C(=O)O)cc23)c1
InChIInChI=1S/C16H11N3O5/c20-14-13(11-7-9(16(23)24)4-5-12(11)17-14)19-18-10-3-1-2-8(6-10)15(21)22/h1-7,17,20H,(H,21,22)(H,23,24)/b19-18+
InChIKeyBXUVARZUCDCENH-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'}

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Related Compounds

3-phenyldiazenylbenzoic acid
CID 555783
3-[(3,4-dihydroxyphenyl)diazenyl]benzoic acid
CID 135853153
4-chloro-3-[(5-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 135846233
5-bromo-3-[(3-nitrophenyl)diazenyl]-1H-indol-2-ol
CID 3902609
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
N-(furan-2-ylmethyl)-3-[[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]diazenyl]benzamide
CID 135971714
3-(aminodiazenyl)benzoic acid
CID 147903566
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylic acid
CID 137469705
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
3-[(3-chloro-4-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 135775287
4-[(3-hydroxyphenyl)diazenyl]benzoic acid
CID 101366550

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid?
The IUPAC name of 3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid (CID 135924021) is 3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid is O=C(O)c1cccc(/N=N/c2c(O)[nH]c3ccc(C(=O)O)cc23)c1.
What is the InChIKey of 3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid?
The InChIKey is BXUVARZUCDCENH-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11N3O5/c20-14-13(11-7-9(16(23)24)4-5-12(11)17-14)19-18-10-3-1-2-8(6-10)15(21)22/h1-7,17,20H,(H,21,22)(H,23,24)/b19-18+.
What are the key properties of 3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid?
3-[(3-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-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid is sourced from PubChem (CID 135924021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).