3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol

C15H12ClN3O — CID 136860025

IUPAC3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
SMILESCc1ccc(Cl)cc1/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C15H12ClN3O/c1-9-6-7-10(16)8-13(9)18-19-14-11-4-2-3-5-12(11)17-15(14)20/h2-8,17,20H,1H3/b19-18+
InChIKeyRHDXXRBDXJWSQX-VHEBQXMUSA-N
MW285.73 g/mol
LogP5.25
Rot. Bonds2

About 3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol

3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol (PubChem CID 136860025) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
PubChem CID136860025
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
SMILESCc1ccc(Cl)cc1/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C15H12ClN3O/c1-9-6-7-10(16)8-13(9)18-19-14-11-4-2-3-5-12(11)17-15(14)20/h2-8,17,20H,1H3/b19-18+
InChIKeyRHDXXRBDXJWSQX-VHEBQXMUSA-N
XLogP5.25
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.73
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol (CID 136860025) is 3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol is Cc1ccc(Cl)cc1/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is RHDXXRBDXJWSQX-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-6-7-10(16)8-13(9)18-19-14-11-4-2-3-5-12(11)17-15(14)20/h2-8,17,20H,1H3/b19-18+.
What are the key properties of 3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol?
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 285.73 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 136860025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).