3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium)

C7H7NY2-2 — CID 59098098

IUPAC3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium)
SMILESCc1[c-]nc(C)[c-]c1.[Y].[Y]
InChIInChI=1S/C7H7N.2Y/c1-6-3-4-7(2)8-5-6;;/h3H,1-2H3;;/q-2;;
InChIKeyMHAIZSRQYWWPGD-UHFFFAOYSA-N
MW282.95 g/mol
LogP1.29
Rot. Bonds

About 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium)

3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium) (PubChem CID 59098098) has the molecular formula C7H7NY2-2 and a molecular weight of 282.95 g/mol. Its IUPAC name is 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium).

Molecular Properties

Compound Name3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium)
PubChem CID59098098
Molecular FormulaC7H7NY2-2
Molecular Weight282.95 g/mol
Exact Mass282.87
IUPAC Name3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium)
SMILESCc1[c-]nc(C)[c-]c1.[Y].[Y]
InChIInChI=1S/C7H7N.2Y/c1-6-3-4-7(2)8-5-6;;/h3H,1-2H3;;/q-2;;
InChIKeyMHAIZSRQYWWPGD-UHFFFAOYSA-N
XLogP1.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.95
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 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium)?
The IUPAC name of 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium) (CID 59098098) is 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium).
What is the SMILES notation for 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium)?
The canonical SMILES for 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium) is Cc1[c-]nc(C)[c-]c1.[Y].[Y].
What is the InChIKey of 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium)?
The InChIKey is MHAIZSRQYWWPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.2Y/c1-6-3-4-7(2)8-5-6;;/h3H,1-2H3;;/q-2;;.
What are the key properties of 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium)?
3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium) has a molecular weight of 282.95 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 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;bis(yttrium) is sourced from PubChem (CID 59098098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).