6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol

C15H8F4N4O3 — CID 135836832

IUPAC6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1/N=N/c1c(O)[nH]c2cc(F)ccc12
InChIInChI=1S/C15H8F4N4O3/c16-8-2-3-9-11(6-8)20-14(24)13(9)22-21-10-4-1-7(15(17,18)19)5-12(10)23(25)26/h1-6,20,24H/b22-21+
InChIKeyFUIGIBGYUCVOAB-QURGRASLSA-N
MW368.25 g/mol
LogP5.36
Rot. Bonds3

About 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol

6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol (PubChem CID 135836832) has the molecular formula C15H8F4N4O3 and a molecular weight of 368.25 g/mol. Its IUPAC name is 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
PubChem CID135836832
Molecular FormulaC15H8F4N4O3
Molecular Weight368.25 g/mol
Exact Mass368.05
IUPAC Name6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1/N=N/c1c(O)[nH]c2cc(F)ccc12
InChIInChI=1S/C15H8F4N4O3/c16-8-2-3-9-11(6-8)20-14(24)13(9)22-21-10-4-1-7(15(17,18)19)5-12(10)23(25)26/h1-6,20,24H/b22-21+
InChIKeyFUIGIBGYUCVOAB-QURGRASLSA-N
XLogP5.36
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.25
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-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-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 3559649
2,4-ditert-butyl-6-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]phenol
CID 135804131
6-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135836805
2-methyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]benzene-1,3-diol
CID 136746762
4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135836764
3-hydroxy-5,5-dimethyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]cyclohex-2-en-1-one
CID 135411656
8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
CID 135755077
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135836811
1-nitro-7-(trifluoromethyl)-9H-carbazole
CID 68927273
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 135836838
4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135735285
N-(4-fluorophenyl)-2-nitro-N-[2-nitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)aniline
CID 142770944

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol?
The IUPAC name of 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol (CID 135836832) is 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol?
The canonical SMILES for 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol is O=[N+]([O-])c1cc(C(F)(F)F)ccc1/N=N/c1c(O)[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol?
The InChIKey is FUIGIBGYUCVOAB-QURGRASLSA-N. The full InChI is InChI=1S/C15H8F4N4O3/c16-8-2-3-9-11(6-8)20-14(24)13(9)22-21-10-4-1-7(15(17,18)19)5-12(10)23(25)26/h1-6,20,24H/b22-21+.
What are the key properties of 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol?
6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol has a molecular weight of 368.25 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 135836832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).