1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol

C16H14N4O3 — CID 3899807

IUPAC1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol
SMILESCCn1c(O)c(/N=N/c2cccc([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C16H14N4O3/c1-2-19-14-9-4-3-8-13(14)15(16(19)21)18-17-11-6-5-7-12(10-11)20(22)23/h3-10,21H,2H2,1H3/b18-17+
InChIKeyGEUNPGADWHTPES-ISLYRVAYSA-N
MW310.31 g/mol
LogP4.69
Rot. Bonds4

About 1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol

1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol (PubChem CID 3899807) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol
PubChem CID3899807
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol
SMILESCCn1c(O)c(/N=N/c2cccc([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C16H14N4O3/c1-2-19-14-9-4-3-8-13(14)15(16(19)21)18-17-11-6-5-7-12(10-11)20(22)23/h3-10,21H,2H2,1H3/b18-17+
InChIKeyGEUNPGADWHTPES-ISLYRVAYSA-N
XLogP4.69
TPSA93.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 135824408
N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide
CID 4573569
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 136863459
N-[2-hydroxy-1-[(3-nitrophenyl)methyl]indol-3-yl]iminobenzamide
CID 1016399
N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 1098392
bis(3-nitrophenyl)diazene
CID 10858607
3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol
CID 5244143
1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol
CID 135819452
N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]imino-3-nitrobenzamide
CID 137172295
ethyl 10-hydroxy-9-[(3-nitrophenyl)diazenyl]-7H-pyrrolo[1,2-a]perimidine-8-carboxylate
CID 139230971
1-butyl-4-hydroxy-3-[(3-nitrophenyl)iminomethyl]quinolin-2-one
CID 135527730

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol?
The IUPAC name of 1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol (CID 3899807) is 1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol.
What is the SMILES notation for 1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol?
The canonical SMILES for 1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol is CCn1c(O)c(/N=N/c2cccc([N+](=O)[O-])c2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol?
The InChIKey is GEUNPGADWHTPES-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-2-19-14-9-4-3-8-13(14)15(16(19)21)18-17-11-6-5-7-12(10-11)20(22)23/h3-10,21H,2H2,1H3/b18-17+.
What are the key properties of 1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol?
1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol has a molecular weight of 310.31 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol is sourced from PubChem (CID 3899807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).