2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate

C16H11ClN3O3- — CID 135708292

IUPAC2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate
SMILESCc1cc(Cl)cc2c(/N=N/c3ccccc3C(=O)[O-])c(O)[nH]c12
InChIInChI=1S/C16H12ClN3O3/c1-8-6-9(17)7-11-13(8)18-15(21)14(11)20-19-12-5-3-2-4-10(12)16(22)23/h2-7,18,21H,1H3,(H,22,23)/p-1/b20-19+
InChIKeyFLWAVNJZQRGLOG-FMQUCBEESA-M
MW328.74 g/mol
LogP3.61
Rot. Bonds3

About 2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate

2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate (PubChem CID 135708292) has the molecular formula C16H11ClN3O3- and a molecular weight of 328.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate.

Molecular Properties

Compound Name2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate
PubChem CID135708292
Molecular FormulaC16H11ClN3O3-
Molecular Weight328.74 g/mol
Exact Mass328.05
IUPAC Name2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate
SMILESCc1cc(Cl)cc2c(/N=N/c3ccccc3C(=O)[O-])c(O)[nH]c12
InChIInChI=1S/C16H12ClN3O3/c1-8-6-9(17)7-11-13(8)18-15(21)14(11)20-19-12-5-3-2-4-10(12)16(22)23/h2-7,18,21H,1H3,(H,22,23)/p-1/b20-19+
InChIKeyFLWAVNJZQRGLOG-FMQUCBEESA-M
XLogP3.61
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 53.61
H-Bond Donors ≤ 52
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-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867576
3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867574
1-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3-(2-sulfamoylphenyl)thiourea
CID 137197067
4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid
CID 135846209
5-bromo-7-methyl-3-phenyldiazenyl-1H-indol-2-ol
CID 5057935
2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 3784946
3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 135730473
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867577
N-[(7-bromo-5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4633492
(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
CID 788841
5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid
CID 137058233

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate?
The IUPAC name of 2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate (CID 135708292) is 2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate.
What is the SMILES notation for 2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate?
The canonical SMILES for 2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate is Cc1cc(Cl)cc2c(/N=N/c3ccccc3C(=O)[O-])c(O)[nH]c12.
What is the InChIKey of 2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate?
The InChIKey is FLWAVNJZQRGLOG-FMQUCBEESA-M. The full InChI is InChI=1S/C16H12ClN3O3/c1-8-6-9(17)7-11-13(8)18-15(21)14(11)20-19-12-5-3-2-4-10(12)16(22)23/h2-7,18,21H,1H3,(H,22,23)/p-1/b20-19+.
What are the key properties of 2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate?
2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate has a molecular weight of 328.74 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoate is sourced from PubChem (CID 135708292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).