6-nitro-1H-indol-2-ol

C8H6N2O3 — CID 131587849

IUPAC6-nitro-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc2cc(O)[nH]c2c1
InChIInChI=1S/C8H6N2O3/c11-8-3-5-1-2-6(10(12)13)4-7(5)9-8/h1-4,9,11H
InChIKeyVAWICFRIKXWUDM-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.78
Rot. Bonds1

About 6-nitro-1H-indol-2-ol

6-nitro-1H-indol-2-ol (PubChem CID 131587849) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-nitro-1H-indol-2-ol.

Molecular Properties

Compound Name6-nitro-1H-indol-2-ol
PubChem CID131587849
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name6-nitro-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc2cc(O)[nH]c2c1
InChIInChI=1S/C8H6N2O3/c11-8-3-5-1-2-6(10(12)13)4-7(5)9-8/h1-4,9,11H
InChIKeyVAWICFRIKXWUDM-UHFFFAOYSA-N
XLogP1.78
TPSA79.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 4038142
ethane;2-methyl-6-nitro-1H-benzimidazole
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CID 71150199
2-chloro-6-nitro-1H-benzimidazole;ethane
CID 144800712
2-fluoro-7-nitronaphthalen-1-ol
CID 169489335
1-hydroxy-6-nitroindol-2-ol
CID 91576861
7-nitro-1H-quinazoline-2,4-dione
CID 3398113
2-methyl-6-nitro-1H-benzimidazol-3-ium
CID 5142307
2-(iodomethyl)-6-nitro-1H-benzimidazole
CID 119085279
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
(6-nitro-1H-benzimidazol-2-yl)methanamine
CID 30159791
7-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 15621612

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1H-indol-2-ol?
The IUPAC name of 6-nitro-1H-indol-2-ol (CID 131587849) is 6-nitro-1H-indol-2-ol.
What is the SMILES notation for 6-nitro-1H-indol-2-ol?
The canonical SMILES for 6-nitro-1H-indol-2-ol is O=[N+]([O-])c1ccc2cc(O)[nH]c2c1.
What is the InChIKey of 6-nitro-1H-indol-2-ol?
The InChIKey is VAWICFRIKXWUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-8-3-5-1-2-6(10(12)13)4-7(5)9-8/h1-4,9,11H.
What are the key properties of 6-nitro-1H-indol-2-ol?
6-nitro-1H-indol-2-ol has a molecular weight of 178.15 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1H-indol-2-ol is sourced from PubChem (CID 131587849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).