1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol

C18H17F3N4O2 — CID 135730919

IUPAC1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol
SMILESCCOCCn1c(O)c(/N=N/c2ccc(C(F)(F)F)cn2)c2ccccc21
InChIInChI=1S/C18H17F3N4O2/c1-2-27-10-9-25-14-6-4-3-5-13(14)16(17(25)26)24-23-15-8-7-12(11-22-15)18(19,20)21/h3-8,11,26H,2,9-10H2,1H3/b24-23+
InChIKeyMLGCTEPBKPBXIU-WCWDXBQESA-N
MW378.35 g/mol
LogP5.21
Rot. Bonds6

About 1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol

1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol (PubChem CID 135730919) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol
PubChem CID135730919
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol
SMILESCCOCCn1c(O)c(/N=N/c2ccc(C(F)(F)F)cn2)c2ccccc21
InChIInChI=1S/C18H17F3N4O2/c1-2-27-10-9-25-14-6-4-3-5-13(14)16(17(25)26)24-23-15-8-7-12(11-22-15)18(19,20)21/h3-8,11,26H,2,9-10H2,1H3/b24-23+
InChIKeyMLGCTEPBKPBXIU-WCWDXBQESA-N
XLogP5.21
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.35
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824238
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
CID 135426572
2-(3,5-dimethylphenoxy)-N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminoacetamide
CID 135674746
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide
CID 135710555
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
CID 135577019
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-(2-oxo-1-pyridinyl)acetamide
CID 135702543
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000
[9-(2-ethoxyethyl)carbazol-3-yl]methanol
CID 125496237
[2-hydroxy-1-(3-phenoxypropyl)indol-3-yl]iminothiourea
CID 135629735
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate
CID 1365560

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol?
The IUPAC name of 1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol (CID 135730919) is 1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol?
The canonical SMILES for 1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol is CCOCCn1c(O)c(/N=N/c2ccc(C(F)(F)F)cn2)c2ccccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol?
The InChIKey is MLGCTEPBKPBXIU-WCWDXBQESA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-2-27-10-9-25-14-6-4-3-5-13(14)16(17(25)26)24-23-15-8-7-12(11-22-15)18(19,20)21/h3-8,11,26H,2,9-10H2,1H3/b24-23+.
What are the key properties of 1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol?
1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol has a molecular weight of 378.35 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol is sourced from PubChem (CID 135730919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).