3-nitrobenzene-4-ide-1-carboxylic acid;yttrium

C7H4NO4Y- — CID 58742982

IUPAC3-nitrobenzene-4-ide-1-carboxylic acid;yttrium
SMILESO=C(O)c1cc[c-]c([N+](=O)[O-])c1.[Y]
InChIInChI=1S/C7H4NO4.Y/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-2,4H,(H,9,10);/q-1;
InChIKeyDFRMBYJITDGOAN-UHFFFAOYSA-N
MW255.02 g/mol
LogP1.09
Rot. Bonds2

About 3-nitrobenzene-4-ide-1-carboxylic acid;yttrium

3-nitrobenzene-4-ide-1-carboxylic acid;yttrium (PubChem CID 58742982) has the molecular formula C7H4NO4Y- and a molecular weight of 255.02 g/mol. Its IUPAC name is 3-nitrobenzene-4-ide-1-carboxylic acid;yttrium.

Molecular Properties

Compound Name3-nitrobenzene-4-ide-1-carboxylic acid;yttrium
PubChem CID58742982
Molecular FormulaC7H4NO4Y-
Molecular Weight255.02 g/mol
Exact Mass254.92
IUPAC Name3-nitrobenzene-4-ide-1-carboxylic acid;yttrium
SMILESO=C(O)c1cc[c-]c([N+](=O)[O-])c1.[Y]
InChIInChI=1S/C7H4NO4.Y/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-2,4H,(H,9,10);/q-1;
InChIKeyDFRMBYJITDGOAN-UHFFFAOYSA-N
XLogP1.09
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.02
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 3-nitrobenzene-4-ide-1-carboxylic acid;yttrium?
The IUPAC name of 3-nitrobenzene-4-ide-1-carboxylic acid;yttrium (CID 58742982) is 3-nitrobenzene-4-ide-1-carboxylic acid;yttrium.
What is the SMILES notation for 3-nitrobenzene-4-ide-1-carboxylic acid;yttrium?
The canonical SMILES for 3-nitrobenzene-4-ide-1-carboxylic acid;yttrium is O=C(O)c1cc[c-]c([N+](=O)[O-])c1.[Y].
What is the InChIKey of 3-nitrobenzene-4-ide-1-carboxylic acid;yttrium?
The InChIKey is DFRMBYJITDGOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4NO4.Y/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-2,4H,(H,9,10);/q-1;.
What are the key properties of 3-nitrobenzene-4-ide-1-carboxylic acid;yttrium?
3-nitrobenzene-4-ide-1-carboxylic acid;yttrium has a molecular weight of 255.02 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrobenzene-4-ide-1-carboxylic acid;yttrium is sourced from PubChem (CID 58742982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).