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

C15H11N3O3 — CID 3784946

IUPAC2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
SMILESO=C(O)c1ccccc1/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C15H11N3O3/c19-14-13(9-5-1-3-7-11(9)16-14)18-17-12-8-4-2-6-10(12)15(20)21/h1-8,16,19H,(H,20,21)/b18-17+
InChIKeyFCKHFYRVZUIRLQ-ISLYRVAYSA-N
MW281.27 g/mol
LogP3.99
Rot. Bonds3

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

2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid (PubChem CID 3784946) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
PubChem CID3784946
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
SMILESO=C(O)c1ccccc1/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C15H11N3O3/c19-14-13(9-5-1-3-7-11(9)16-14)18-17-12-8-4-2-6-10(12)15(20)21/h1-8,16,19H,(H,20,21)/b18-17+
InChIKeyFCKHFYRVZUIRLQ-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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Related Compounds

2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid
CID 170853747
2-[[2-hydroxy-5-(trioxidanylsulfanyl)-1H-indol-3-yl]diazenyl]benzoic acid
CID 135971769
4-(2-carboxybenzoyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]phenolate;chromium(3+);2-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-4-oxidobenzoyl]benzoate
CID 170853746
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
CID 615744
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
3-(quinolin-8-yldiazenyl)-1H-indol-2-ol
CID 4241264
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
CID 3388118
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide
CID 137274442
N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 922351
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 3559649

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
The IUPAC name of 2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid (CID 3784946) is 2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid.
What is the SMILES notation for 2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
The canonical SMILES for 2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid is O=C(O)c1ccccc1/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
The InChIKey is FCKHFYRVZUIRLQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-14-13(9-5-1-3-7-11(9)16-14)18-17-12-8-4-2-6-10(12)15(20)21/h1-8,16,19H,(H,20,21)/b18-17+.
What are the key properties of 2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
2-[(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 2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid is sourced from PubChem (CID 3784946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).