6-nitro-1H-inden-5-ol

C9H7NO3 — CID 141252155

IUPAC6-nitro-1H-inden-5-ol
SMILESO=[N+]([O-])c1cc2c(cc1O)C=CC2
InChIInChI=1S/C9H7NO3/c11-9-5-7-3-1-2-6(7)4-8(9)10(12)13/h1,3-5,11H,2H2
InChIKeyRFTWNFGNUDZRPJ-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.87
Rot. Bonds1

About 6-nitro-1H-inden-5-ol

6-nitro-1H-inden-5-ol (PubChem CID 141252155) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-nitro-1H-inden-5-ol.

Molecular Properties

Compound Name6-nitro-1H-inden-5-ol
PubChem CID141252155
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name6-nitro-1H-inden-5-ol
SMILESO=[N+]([O-])c1cc2c(cc1O)C=CC2
InChIInChI=1S/C9H7NO3/c11-9-5-7-3-1-2-6(7)4-8(9)10(12)13/h1,3-5,11H,2H2
InChIKeyRFTWNFGNUDZRPJ-UHFFFAOYSA-N
XLogP1.87
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
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 118176049
4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol
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5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol
CID 102273145
3-nitronaphthalen-2-ol
CID 15859501
4-hydroxy-2-methyl-5-nitrobenzaldehyde
CID 86664213
2,4-dihydroxy-5-nitrobenzonitrile
CID 112719946
5-cyclopentyloxy-2,4-dinitrophenol
CID 139703889
5-bromo-4-methyl-2-nitrophenol
CID 82184524
2-nitro-5-sulfanylphenol
CID 57204619
azane;2,4-dinitrophenol;hydrate
CID 174664401
10-hydroxy-5-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-ol
CID 142081754
5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599567

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1H-inden-5-ol?
The IUPAC name of 6-nitro-1H-inden-5-ol (CID 141252155) is 6-nitro-1H-inden-5-ol.
What is the SMILES notation for 6-nitro-1H-inden-5-ol?
The canonical SMILES for 6-nitro-1H-inden-5-ol is O=[N+]([O-])c1cc2c(cc1O)C=CC2.
What is the InChIKey of 6-nitro-1H-inden-5-ol?
The InChIKey is RFTWNFGNUDZRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-9-5-7-3-1-2-6(7)4-8(9)10(12)13/h1,3-5,11H,2H2.
What are the key properties of 6-nitro-1H-inden-5-ol?
6-nitro-1H-inden-5-ol has a molecular weight of 177.16 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1H-inden-5-ol is sourced from PubChem (CID 141252155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).