4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid

C16H12ClN3O3 — CID 135846209

IUPAC4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid
SMILESCc1cccc2c(/N=N/c3cc(C(=O)O)ccc3Cl)c(O)[nH]c12
InChIInChI=1S/C16H12ClN3O3/c1-8-3-2-4-10-13(8)18-15(21)14(10)20-19-12-7-9(16(22)23)5-6-11(12)17/h2-7,18,21H,1H3,(H,22,23)/b20-19+
InChIKeyWAGXJQPXVZTZGB-FMQUCBEESA-N
MW329.74 g/mol
LogP4.95
Rot. Bonds3

About 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid

4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid (PubChem CID 135846209) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid
PubChem CID135846209
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid
SMILESCc1cccc2c(/N=N/c3cc(C(=O)O)ccc3Cl)c(O)[nH]c12
InChIInChI=1S/C16H12ClN3O3/c1-8-3-2-4-10-13(8)18-15(21)14(10)20-19-12-7-9(16(22)23)5-6-11(12)17/h2-7,18,21H,1H3,(H,22,23)/b20-19+
InChIKeyWAGXJQPXVZTZGB-FMQUCBEESA-N
XLogP4.95
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 54.95
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'}

Analyze 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867576
3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867577
4-chloro-3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764242
4-chloro-3-[(5-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 135846233
3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867574
(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
CID 788841
3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 135730473
4-chloro-3-[(2-hydroxy-1-propan-2-ylindol-3-yl)diazenyl]benzoic acid
CID 135846205
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
CID 135582404
ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate
CID 2692659
3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol
CID 136867923
4-chloro-3-[(3-hydroxy-1-benzothiophen-2-yl)diazenyl]benzoic acid
CID 4764250

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid (CID 135846209) is 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid is Cc1cccc2c(/N=N/c3cc(C(=O)O)ccc3Cl)c(O)[nH]c12.
What is the InChIKey of 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid?
The InChIKey is WAGXJQPXVZTZGB-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-8-3-2-4-10-13(8)18-15(21)14(10)20-19-12-7-9(16(22)23)5-6-11(12)17/h2-7,18,21H,1H3,(H,22,23)/b20-19+.
What are the key properties of 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid?
4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid has a molecular weight of 329.74 g/mol, XLogP of 4.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid is sourced from PubChem (CID 135846209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).