1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium)

C12H12N2Y2 — CID 143522759

IUPAC1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium)
SMILESC[n+]1cc[c-]cc1-c1c[c-]cc[n+]1C.[Y].[Y]
InChIInChI=1S/C12H12N2.2Y/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2;;/h5-10H,1-2H3;;
InChIKeyXBLFSMADXMPOIB-UHFFFAOYSA-N
MW362.05 g/mol
LogP0.60
Rot. Bonds1

About 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium)

1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium) (PubChem CID 143522759) has the molecular formula C12H12N2Y2 and a molecular weight of 362.05 g/mol. Its IUPAC name is 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium).

Molecular Properties

Compound Name1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium)
PubChem CID143522759
Molecular FormulaC12H12N2Y2
Molecular Weight362.05 g/mol
Exact Mass361.91
IUPAC Name1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium)
SMILESC[n+]1cc[c-]cc1-c1c[c-]cc[n+]1C.[Y].[Y]
InChIInChI=1S/C12H12N2.2Y/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2;;/h5-10H,1-2H3;;
InChIKeyXBLFSMADXMPOIB-UHFFFAOYSA-N
XLogP0.60
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium)?
The IUPAC name of 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium) (CID 143522759) is 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium).
What is the SMILES notation for 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium)?
The canonical SMILES for 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium) is C[n+]1cc[c-]cc1-c1c[c-]cc[n+]1C.[Y].[Y].
What is the InChIKey of 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium)?
The InChIKey is XBLFSMADXMPOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2Y/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2;;/h5-10H,1-2H3;;.
What are the key properties of 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium)?
1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium) has a molecular weight of 362.05 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methyl-4H-pyridin-1-ium-4-id-2-yl)-4H-pyridin-1-ium-4-ide;bis(yttrium) is sourced from PubChem (CID 143522759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).