4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium

C7H7NW4Y-2 — CID 58589478

IUPAC4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium
SMILESCc1[c-]c(C)n[c-]c1.[W].[W].[W].[W].[Y]
InChIInChI=1S/C7H7N.4W.Y/c1-6-3-4-8-7(2)5-6;;;;;/h3H,1-2H3;;;;;/q-2;;;;;
InChIKeyZQRDAPGHRXVUQN-UHFFFAOYSA-N
MW929.41 g/mol
LogP1.29
Rot. Bonds

About 4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium

4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium (PubChem CID 58589478) has the molecular formula C7H7NW4Y-2 and a molecular weight of 929.41 g/mol. Its IUPAC name is 4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium.

Molecular Properties

Compound Name4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium
PubChem CID58589478
Molecular FormulaC7H7NW4Y-2
Molecular Weight929.41 g/mol
Exact Mass929.77
IUPAC Name4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium
SMILESCc1[c-]c(C)n[c-]c1.[W].[W].[W].[W].[Y]
InChIInChI=1S/C7H7N.4W.Y/c1-6-3-4-8-7(2)5-6;;;;;/h3H,1-2H3;;;;;/q-2;;;;;
InChIKeyZQRDAPGHRXVUQN-UHFFFAOYSA-N
XLogP1.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500929.41
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium?
The IUPAC name of 4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium (CID 58589478) is 4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium.
What is the SMILES notation for 4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium?
The canonical SMILES for 4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium is Cc1[c-]c(C)n[c-]c1.[W].[W].[W].[W].[Y].
What is the InChIKey of 4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium?
The InChIKey is ZQRDAPGHRXVUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.4W.Y/c1-6-3-4-8-7(2)5-6;;;;;/h3H,1-2H3;;;;;/q-2;;;;;.
What are the key properties of 4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium?
4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium has a molecular weight of 929.41 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,5-dihydropyridine-2,5-diide;tungsten;yttrium is sourced from PubChem (CID 58589478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).