1-hydroxy-6-nitroindol-2-ol

C8H6N2O4 — CID 91576861

IUPAC1-hydroxy-6-nitroindol-2-ol
SMILESO=[N+]([O-])c1ccc2cc(O)n(O)c2c1
InChIInChI=1S/C8H6N2O4/c11-8-3-5-1-2-6(10(13)14)4-7(5)9(8)12/h1-4,11-12H
InChIKeyLDKUNYJTHVCLHR-UHFFFAOYSA-N
MW194.15 g/mol
LogP1.49
Rot. Bonds1

About 1-hydroxy-6-nitroindol-2-ol

1-hydroxy-6-nitroindol-2-ol (PubChem CID 91576861) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-hydroxy-6-nitroindol-2-ol.

Molecular Properties

Compound Name1-hydroxy-6-nitroindol-2-ol
PubChem CID91576861
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name1-hydroxy-6-nitroindol-2-ol
SMILESO=[N+]([O-])c1ccc2cc(O)n(O)c2c1
InChIInChI=1S/C8H6N2O4/c11-8-3-5-1-2-6(10(13)14)4-7(5)9(8)12/h1-4,11-12H
InChIKeyLDKUNYJTHVCLHR-UHFFFAOYSA-N
XLogP1.49
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', '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-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol
CID 123875570
1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole
CID 59754587
4-nitrophenol
CID 88714583
1-methyl-6-nitroindole-2-carbaldehyde
CID 105455916
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
1-(6-nitroindol-1-yl)butan-2-one
CID 62039751
4-nitrophenol;phosphane
CID 157153413
1-hydroxy-6-nitrobenzimidazole;hydrochloride
CID 14062559
2-(4-chlorophenyl)-1-hydroxy-6-nitrobenzimidazole
CID 1476973
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
6-nitro-1H-indol-2-ol
CID 131587849

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-nitroindol-2-ol?
The IUPAC name of 1-hydroxy-6-nitroindol-2-ol (CID 91576861) is 1-hydroxy-6-nitroindol-2-ol.
What is the SMILES notation for 1-hydroxy-6-nitroindol-2-ol?
The canonical SMILES for 1-hydroxy-6-nitroindol-2-ol is O=[N+]([O-])c1ccc2cc(O)n(O)c2c1.
What is the InChIKey of 1-hydroxy-6-nitroindol-2-ol?
The InChIKey is LDKUNYJTHVCLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-8-3-5-1-2-6(10(13)14)4-7(5)9(8)12/h1-4,11-12H.
What are the key properties of 1-hydroxy-6-nitroindol-2-ol?
1-hydroxy-6-nitroindol-2-ol has a molecular weight of 194.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-nitroindol-2-ol is sourced from PubChem (CID 91576861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).