3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol

C15H9ClF3N3O — CID 136867759

IUPAC3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccc(C(F)(F)F)cc2c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF3N3O/c16-9-2-4-10(5-3-9)21-22-13-11-7-8(15(17,18)19)1-6-12(11)20-14(13)23/h1-7,20,23H/b22-21+
InChIKeyXMUWNDYYYGFYPW-QURGRASLSA-N
MW339.70 g/mol
LogP5.96
Rot. Bonds2

About 3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol

3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol (PubChem CID 136867759) has the molecular formula C15H9ClF3N3O and a molecular weight of 339.70 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
PubChem CID136867759
Molecular FormulaC15H9ClF3N3O
Molecular Weight339.70 g/mol
Exact Mass339.04
IUPAC Name3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccc(C(F)(F)F)cc2c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF3N3O/c16-9-2-4-10(5-3-9)21-22-13-11-7-8(15(17,18)19)1-6-12(11)20-14(13)23/h1-7,20,23H/b22-21+
InChIKeyXMUWNDYYYGFYPW-QURGRASLSA-N
XLogP5.96
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.70
LogP ≤ 55.96
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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Related Compounds

3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867768
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide
CID 136867777
5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol
CID 135775190
3-(1,3-benzothiazol-2-yldiazenyl)-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867779
5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol
CID 136867526
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
6-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135836805
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046
3-[(3-chloro-4-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 135775287
3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol
CID 136867871
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol?
The IUPAC name of 3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol (CID 136867759) is 3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol?
The canonical SMILES for 3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol is Oc1[nH]c2ccc(C(F)(F)F)cc2c1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol?
The InChIKey is XMUWNDYYYGFYPW-QURGRASLSA-N. The full InChI is InChI=1S/C15H9ClF3N3O/c16-9-2-4-10(5-3-9)21-22-13-11-7-8(15(17,18)19)1-6-12(11)20-14(13)23/h1-7,20,23H/b22-21+.
What are the key properties of 3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol?
3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol has a molecular weight of 339.70 g/mol, XLogP of 5.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol is sourced from PubChem (CID 136867759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).