5-nitro-2-(2-nitroethenyl)phenol

C8H6N2O5 — CID 131538239

IUPAC5-nitro-2-(2-nitroethenyl)phenol
SMILESO=[N+]([O-])C=Cc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C8H6N2O5/c11-8-5-7(10(14)15)2-1-6(8)3-4-9(12)13/h1-5,11H
InChIKeyHIGZIHLPHMMBHD-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.55
Rot. Bonds3

About 5-nitro-2-(2-nitroethenyl)phenol

5-nitro-2-(2-nitroethenyl)phenol (PubChem CID 131538239) has the molecular formula C8H6N2O5 and a molecular weight of 210.15 g/mol. Its IUPAC name is 5-nitro-2-(2-nitroethenyl)phenol.

Molecular Properties

Compound Name5-nitro-2-(2-nitroethenyl)phenol
PubChem CID131538239
Molecular FormulaC8H6N2O5
Molecular Weight210.15 g/mol
Exact Mass210.03
IUPAC Name5-nitro-2-(2-nitroethenyl)phenol
SMILESO=[N+]([O-])C=Cc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C8H6N2O5/c11-8-5-7(10(14)15)2-1-6(8)3-4-9(12)13/h1-5,11H
InChIKeyHIGZIHLPHMMBHD-UHFFFAOYSA-N
XLogP1.55
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(2-nitroethenyl)phenol?
The IUPAC name of 5-nitro-2-(2-nitroethenyl)phenol (CID 131538239) is 5-nitro-2-(2-nitroethenyl)phenol.
What is the SMILES notation for 5-nitro-2-(2-nitroethenyl)phenol?
The canonical SMILES for 5-nitro-2-(2-nitroethenyl)phenol is O=[N+]([O-])C=Cc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 5-nitro-2-(2-nitroethenyl)phenol?
The InChIKey is HIGZIHLPHMMBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O5/c11-8-5-7(10(14)15)2-1-6(8)3-4-9(12)13/h1-5,11H.
What are the key properties of 5-nitro-2-(2-nitroethenyl)phenol?
5-nitro-2-(2-nitroethenyl)phenol has a molecular weight of 210.15 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(2-nitroethenyl)phenol is sourced from PubChem (CID 131538239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).