2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium)

C7H7N2O2Y2- — CID 168837489

IUPAC2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium)
SMILESNNc1cc[c-]cc1C(=O)O.[Y].[Y]
InChIInChI=1S/C7H7N2O2.2Y/c8-9-6-4-2-1-3-5(6)7(10)11;;/h2-4,9H,8H2,(H,10,11);;/q-1;;
InChIKeyCQBBAWVRCXVWGQ-UHFFFAOYSA-N
MW328.96 g/mol
LogP0.47
Rot. Bonds2

About 2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium)

2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium) (PubChem CID 168837489) has the molecular formula C7H7N2O2Y2- and a molecular weight of 328.96 g/mol. Its IUPAC name is 2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium).

Molecular Properties

Compound Name2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium)
PubChem CID168837489
Molecular FormulaC7H7N2O2Y2-
Molecular Weight328.96 g/mol
Exact Mass328.86
IUPAC Name2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium)
SMILESNNc1cc[c-]cc1C(=O)O.[Y].[Y]
InChIInChI=1S/C7H7N2O2.2Y/c8-9-6-4-2-1-3-5(6)7(10)11;;/h2-4,9H,8H2,(H,10,11);;/q-1;;
InChIKeyCQBBAWVRCXVWGQ-UHFFFAOYSA-N
XLogP0.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.96
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium)?
The IUPAC name of 2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium) (CID 168837489) is 2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium).
What is the SMILES notation for 2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium)?
The canonical SMILES for 2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium) is NNc1cc[c-]cc1C(=O)O.[Y].[Y].
What is the InChIKey of 2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium)?
The InChIKey is CQBBAWVRCXVWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O2.2Y/c8-9-6-4-2-1-3-5(6)7(10)11;;/h2-4,9H,8H2,(H,10,11);;/q-1;;.
What are the key properties of 2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium)?
2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium) has a molecular weight of 328.96 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylbenzene-5-ide-1-carboxylic acid;bis(yttrium) is sourced from PubChem (CID 168837489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).