4-aminobenzene-5-ide-1-carboxylic acid;yttrium

C7H6NO2Y- — CID 58305613

IUPAC4-aminobenzene-5-ide-1-carboxylic acid;yttrium
SMILESNc1[c-]cc(C(=O)O)cc1.[Y]
InChIInChI=1S/C7H6NO2.Y/c8-6-3-1-5(2-4-6)7(9)10;/h1-3H,8H2,(H,9,10);/q-1;
InChIKeyRCFRTVISYDXVLE-UHFFFAOYSA-N
MW225.04 g/mol
LogP0.76
Rot. Bonds1

About 4-aminobenzene-5-ide-1-carboxylic acid;yttrium

4-aminobenzene-5-ide-1-carboxylic acid;yttrium (PubChem CID 58305613) has the molecular formula C7H6NO2Y- and a molecular weight of 225.04 g/mol. Its IUPAC name is 4-aminobenzene-5-ide-1-carboxylic acid;yttrium.

Molecular Properties

Compound Name4-aminobenzene-5-ide-1-carboxylic acid;yttrium
PubChem CID58305613
Molecular FormulaC7H6NO2Y-
Molecular Weight225.04 g/mol
Exact Mass224.95
IUPAC Name4-aminobenzene-5-ide-1-carboxylic acid;yttrium
SMILESNc1[c-]cc(C(=O)O)cc1.[Y]
InChIInChI=1S/C7H6NO2.Y/c8-6-3-1-5(2-4-6)7(9)10;/h1-3H,8H2,(H,9,10);/q-1;
InChIKeyRCFRTVISYDXVLE-UHFFFAOYSA-N
XLogP0.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminobenzene-5-ide-1-carboxylic acid;yttrium?
The IUPAC name of 4-aminobenzene-5-ide-1-carboxylic acid;yttrium (CID 58305613) is 4-aminobenzene-5-ide-1-carboxylic acid;yttrium.
What is the SMILES notation for 4-aminobenzene-5-ide-1-carboxylic acid;yttrium?
The canonical SMILES for 4-aminobenzene-5-ide-1-carboxylic acid;yttrium is Nc1[c-]cc(C(=O)O)cc1.[Y].
What is the InChIKey of 4-aminobenzene-5-ide-1-carboxylic acid;yttrium?
The InChIKey is RCFRTVISYDXVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO2.Y/c8-6-3-1-5(2-4-6)7(9)10;/h1-3H,8H2,(H,9,10);/q-1;.
What are the key properties of 4-aminobenzene-5-ide-1-carboxylic acid;yttrium?
4-aminobenzene-5-ide-1-carboxylic acid;yttrium has a molecular weight of 225.04 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzene-5-ide-1-carboxylic acid;yttrium is sourced from PubChem (CID 58305613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).