5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

C16H10N4O4 — CID 135481175

IUPAC5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccccc12
InChIInChI=1S/C16H10N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,17-18,21H
InChIKeyGIMRHZPQMMMJKH-UHFFFAOYSA-N
MW322.28 g/mol
LogP4.33
Rot. Bonds3

About 5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (PubChem CID 135481175) has the molecular formula C16H10N4O4 and a molecular weight of 322.28 g/mol. Its IUPAC name is 5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
PubChem CID135481175
Molecular FormulaC16H10N4O4
Molecular Weight322.28 g/mol
Exact Mass322.07
IUPAC Name5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccccc12
InChIInChI=1S/C16H10N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,17-18,21H
InChIKeyGIMRHZPQMMMJKH-UHFFFAOYSA-N
XLogP4.33
TPSA124.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-nitro-3-(3-nitroso-1H-indol-2-yl)-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

Indirubin-3'-monoxime
CID 3707
6-Bromoindirubin-3'-oxime
CID 448949
7-bromo-3-[3-(hydroxyamino)-1H-indol-2-yl]indol-2-one
CID 135423792
Drak2-IN-1
CID 136175114
(E)-N'-(5-nitro-2-oxoindolin-3-ylidene)hexanehydrazide
CID 3789101
Indirubin deriv. 7g
CID 135434963
2-[(4-methylphenyl)amino]-N'-[(3E)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide (non-preferred name)
CID 3257213
2-[(2-methylphenyl)amino]-N'-[(3Z)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide (non-preferred name)
CID 3822490
(3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]
CID 135594431
5-iodo-Indirubin-3'-monoxime
CID 403176
5'-Fluoroindirubinoxime
CID 135398503
(3Z)-3-[(3E)-3-hydroxyiminoindolin-2-ylidene]-5-methyl-indolin-2-one
CID 135418352

Frequently Asked Questions

What is the IUPAC name of 5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The IUPAC name of 5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (CID 135481175) is 5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is O=Nc1c(-c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccccc12.
What is the InChIKey of 5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The InChIKey is GIMRHZPQMMMJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,17-18,21H.
What are the key properties of 5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol has a molecular weight of 322.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 135481175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).