4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid

C15H10ClN3O3 — CID 4652735

IUPAC4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2c(O)[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C15H10ClN3O3/c16-9-3-6-11-12(7-9)17-14(20)13(11)19-18-10-4-1-8(2-5-10)15(21)22/h1-7,17,20H,(H,21,22)/b19-18+
InChIKeyNSMSPIJRSJUKMM-VHEBQXMUSA-N
MW315.72 g/mol
LogP4.64
Rot. Bonds3

About 4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid

4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid (PubChem CID 4652735) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is 4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
PubChem CID4652735
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC Name4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2c(O)[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C15H10ClN3O3/c16-9-3-6-11-12(7-9)17-14(20)13(11)19-18-10-4-1-8(2-5-10)15(21)22/h1-7,17,20H,(H,21,22)/b19-18+
InChIKeyNSMSPIJRSJUKMM-VHEBQXMUSA-N
XLogP4.64
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.64
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-[(6-chloro-2-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
The IUPAC name of 4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid (CID 4652735) is 4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid is O=C(O)c1ccc(/N=N/c2c(O)[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of 4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
The InChIKey is NSMSPIJRSJUKMM-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c16-9-3-6-11-12(7-9)17-14(20)13(11)19-18-10-4-1-8(2-5-10)15(21)22/h1-7,17,20H,(H,21,22)/b19-18+.
What are the key properties of 4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid?
4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid has a molecular weight of 315.72 g/mol, XLogP of 4.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid is sourced from PubChem (CID 4652735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).