3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol

C16H14N8O3 — CID 57354047

IUPAC3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol
SMILES[N-]=[N+]=Nc1ccc(N/N=N/CCc2c[nH]c3ccc(O)cc23)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N8O3/c17-22-21-15-3-1-11(7-16(15)24(26)27)20-23-19-6-5-10-9-18-14-4-2-12(25)8-13(10)14/h1-4,7-9,18,25H,5-6H2,(H,19,20)
InChIKeyZQHHIGSJKPKZTA-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.75
Rot. Bonds7

About 3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol

3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol (PubChem CID 57354047) has the molecular formula C16H14N8O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol
PubChem CID57354047
Molecular FormulaC16H14N8O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol
SMILES[N-]=[N+]=Nc1ccc(N/N=N/CCc2c[nH]c3ccc(O)cc23)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N8O3/c17-22-21-15-3-1-11(7-16(15)24(26)27)20-23-19-6-5-10-9-18-14-4-2-12(25)8-13(10)14/h1-4,7-9,18,25H,5-6H2,(H,19,20)
InChIKeyZQHHIGSJKPKZTA-UHFFFAOYSA-N
XLogP4.75
TPSA164.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

3-(2-azidoethyl)-5-nitro-1H-indole
CID 123550245
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[2-(4-nitroanilino)ethyl]guanidine
CID 111972620
3-propyl-1H-indol-5-ol
CID 15366338
3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol
CID 87929680
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol
CID 135581382
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[(2-nitrophenyl)methyl]guanidine;hydroiodide
CID 111972603
1-azido-4-butyl-2-nitrobenzene
CID 150606918
4-bromo-N-(1H-indol-3-ylmethyl)-3-nitroaniline
CID 79754427
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(5-hydroxy-4-nitro-1H-indol-3-yl)propanoic acid
CID 160951159

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol?
The IUPAC name of 3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol (CID 57354047) is 3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol?
The canonical SMILES for 3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol is [N-]=[N+]=Nc1ccc(N/N=N/CCc2c[nH]c3ccc(O)cc23)cc1[N+](=O)[O-].
What is the InChIKey of 3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol?
The InChIKey is ZQHHIGSJKPKZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O3/c17-22-21-15-3-1-11(7-16(15)24(26)27)20-23-19-6-5-10-9-18-14-4-2-12(25)8-13(10)14/h1-4,7-9,18,25H,5-6H2,(H,19,20).
What are the key properties of 3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol?
3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol has a molecular weight of 366.34 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 57354047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).