3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol

C15H10F3N3O — CID 136866763

IUPAC3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol
SMILESOc1[nH]c2c(C(F)(F)F)cccc2c1/N=N/c1ccccc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)11-8-4-7-10-12(11)19-14(22)13(10)21-20-9-5-2-1-3-6-9/h1-8,19,22H/b21-20+
InChIKeyGXADKJPZSUBOBS-QZQOTICOSA-N
MW305.26 g/mol
LogP5.31
Rot. Bonds2

About 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol

3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol (PubChem CID 136866763) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol
PubChem CID136866763
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol
SMILESOc1[nH]c2c(C(F)(F)F)cccc2c1/N=N/c1ccccc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)11-8-4-7-10-12(11)19-14(22)13(10)21-20-9-5-2-1-3-6-9/h1-8,19,22H/b21-20+
InChIKeyGXADKJPZSUBOBS-QZQOTICOSA-N
XLogP5.31
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.26
LogP ≤ 55.31
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'}

Analyze 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol 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-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
5-bromo-7-methyl-3-phenyldiazenyl-1H-indol-2-ol
CID 5057935
7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
CID 177249161
3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 135730473
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046
3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867574
3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
CID 135924021
3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol
CID 136867923
7-ethyl-3-(pyridin-3-yldiazenyl)-1H-indol-2-ol
CID 136867607
5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 135775276
3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 68745449
8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
CID 12592798

Frequently Asked Questions

What is the IUPAC name of 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol?
The IUPAC name of 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol (CID 136866763) is 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol?
The canonical SMILES for 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol is Oc1[nH]c2c(C(F)(F)F)cccc2c1/N=N/c1ccccc1.
What is the InChIKey of 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol?
The InChIKey is GXADKJPZSUBOBS-QZQOTICOSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)11-8-4-7-10-12(11)19-14(22)13(10)21-20-9-5-2-1-3-6-9/h1-8,19,22H/b21-20+.
What are the key properties of 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol?
3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol has a molecular weight of 305.26 g/mol, XLogP of 5.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyldiazenyl-7-(trifluoromethyl)-1H-indol-2-ol is sourced from PubChem (CID 136866763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).