2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium)

C10H6N2Y3-2 — CID 58453394

IUPAC2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium)
SMILES[Y].[Y].[Y].[c-]1ccnc(-c2c[c-]ccn2)c1
InChIInChI=1S/C10H6N2.3Y/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3-8H;;;/q-2;;;
InChIKeyVANVLUHBHOCPHB-UHFFFAOYSA-N
MW420.89 g/mol
LogP1.74
Rot. Bonds1

About 2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium)

2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium) (PubChem CID 58453394) has the molecular formula C10H6N2Y3-2 and a molecular weight of 420.89 g/mol. Its IUPAC name is 2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium).

Molecular Properties

Compound Name2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium)
PubChem CID58453394
Molecular FormulaC10H6N2Y3-2
Molecular Weight420.89 g/mol
Exact Mass420.77
IUPAC Name2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium)
SMILES[Y].[Y].[Y].[c-]1ccnc(-c2c[c-]ccn2)c1
InChIInChI=1S/C10H6N2.3Y/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3-8H;;;/q-2;;;
InChIKeyVANVLUHBHOCPHB-UHFFFAOYSA-N
XLogP1.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium)?
The IUPAC name of 2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium) (CID 58453394) is 2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium).
What is the SMILES notation for 2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium)?
The canonical SMILES for 2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium) is [Y].[Y].[Y].[c-]1ccnc(-c2c[c-]ccn2)c1.
What is the InChIKey of 2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium)?
The InChIKey is VANVLUHBHOCPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2.3Y/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3-8H;;;/q-2;;;.
What are the key properties of 2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium)?
2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium) has a molecular weight of 420.89 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-pyridin-4-id-2-yl)-4H-pyridin-4-ide;tris(yttrium) is sourced from PubChem (CID 58453394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).