4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid

C17H15N3O3 — CID 5238140

IUPAC4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/c3ccc(C(=O)O)cc3)c2c1
InChIInChI=1S/C17H15N3O3/c1-9-7-10(2)14-13(8-9)15(16(21)18-14)20-19-12-5-3-11(4-6-12)17(22)23/h3-8,18,21H,1-2H3,(H,22,23)/b20-19+
InChIKeyYNZLLZWHERPJFA-FMQUCBEESA-N
MW309.33 g/mol
LogP4.60
Rot. Bonds3

About 4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid

4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid (PubChem CID 5238140) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid
PubChem CID5238140
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/c3ccc(C(=O)O)cc3)c2c1
InChIInChI=1S/C17H15N3O3/c1-9-7-10(2)14-13(8-9)15(16(21)18-14)20-19-12-5-3-11(4-6-12)17(22)23/h3-8,18,21H,1-2H3,(H,22,23)/b20-19+
InChIKeyYNZLLZWHERPJFA-FMQUCBEESA-N
XLogP4.60
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.60
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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Related Compounds

4-[N'-(2-Oxo-1,2-dihydro-indol-3-ylidene)-hydrazino]-benzoic acid
CID 5033943
Oxindole-Based Inhibitor 57
CID 135404113
Oxindole-Based Inhibitor 56
CID 135434986
(3Z)-3-[2-(2-carboxyphenyl)hydrazin-1-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxylic acid
CID 135924030
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
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
(3Z)-7-methyl-3-(2-phenylhydrazinylidene)-1,3-dihydro-2H-indol-2-one
CID 4428875
(3Z)-5-methyl-3-(3-oxoindolin-2-ylidene)indolin-2-one
CID 135422898
N-[(3Z)-1-Hexyl-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 135881473
methyl 2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]diazenyl]-1H-indole-5-carboxylate
CID 136025875

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid?
The IUPAC name of 4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid (CID 5238140) is 4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid is Cc1cc(C)c2[nH]c(O)c(/N=N/c3ccc(C(=O)O)cc3)c2c1.
What is the InChIKey of 4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid?
The InChIKey is YNZLLZWHERPJFA-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O3/c1-9-7-10(2)14-13(8-9)15(16(21)18-14)20-19-12-5-3-11(4-6-12)17(22)23/h3-8,18,21H,1-2H3,(H,22,23)/b20-19+.
What are the key properties of 4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid?
4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid has a molecular weight of 309.33 g/mol, XLogP of 4.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzoic acid is sourced from PubChem (CID 5238140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).