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

C22H15N3O5 — CID 170853747

IUPAC2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(O)c(/N=N/c2c(O)[nH]c3ccccc23)c1
InChIInChI=1S/C22H15N3O5/c26-18-10-9-12(20(27)13-5-1-2-6-14(13)22(29)30)11-17(18)24-25-19-15-7-3-4-8-16(15)23-21(19)28/h1-11,23,26,28H,(H,29,30)/b25-24+
InChIKeyHXTCRTDOGZQQOA-OCOZRVBESA-N
MW401.38 g/mol
LogP4.92
Rot. Bonds5

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

2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid (PubChem CID 170853747) has the molecular formula C22H15N3O5 and a molecular weight of 401.38 g/mol. Its IUPAC name is 2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid.

Molecular Properties

Compound Name2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid
PubChem CID170853747
Molecular FormulaC22H15N3O5
Molecular Weight401.38 g/mol
Exact Mass401.10
IUPAC Name2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(O)c(/N=N/c2c(O)[nH]c3ccccc23)c1
InChIInChI=1S/C22H15N3O5/c26-18-10-9-12(20(27)13-5-1-2-6-14(13)22(29)30)11-17(18)24-25-19-15-7-3-4-8-16(15)23-21(19)28/h1-11,23,26,28H,(H,29,30)/b25-24+
InChIKeyHXTCRTDOGZQQOA-OCOZRVBESA-N
XLogP4.92
TPSA135.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(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
2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 3784946
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid
CID 136641813
[5-(2-carboxybenzoyl)-2-hydroxyphenyl]-oxoazanium
CID 142113442
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
2-[[2-hydroxy-5-(trioxidanylsulfanyl)-1H-indol-3-yl]diazenyl]benzoic acid
CID 135971769
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
CID 615744
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
4-[[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid
CID 3538856
2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide
CID 135976516
3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
CID 135924021

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid?
The IUPAC name of 2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid (CID 170853747) is 2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid.
What is the SMILES notation for 2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid?
The canonical SMILES for 2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid is O=C(O)c1ccccc1C(=O)c1ccc(O)c(/N=N/c2c(O)[nH]c3ccccc23)c1.
What is the InChIKey of 2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid?
The InChIKey is HXTCRTDOGZQQOA-OCOZRVBESA-N. The full InChI is InChI=1S/C22H15N3O5/c26-18-10-9-12(20(27)13-5-1-2-6-14(13)22(29)30)11-17(18)24-25-19-15-7-3-4-8-16(15)23-21(19)28/h1-11,23,26,28H,(H,29,30)/b25-24+.
What are the key properties of 2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid?
2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid has a molecular weight of 401.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoyl]benzoic acid is sourced from PubChem (CID 170853747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).