3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium)

C35H39N5Y6-6 — CID 159171358

IUPAC3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium)
SMILESCc1[c-]cnc(C)c1.Cc1[c-]nc(C)[c-]c1.Cc1c[c-]c(C)nc1.Cc1c[c-]cnc1C.Cc1c[c-]nc(C)c1.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/3C7H8N.C7H7N.C7H8N.6Y/c2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;;;;;;/h4-5H,1-2H3;2*3,5H,1-2H3;3H,1-2H3;4-5H,1-2H3;;;;;;/q3*-1;-2;-1;;;;;;
InChIKeyVKPROKGWDZQTNS-UHFFFAOYSA-N
MW1063.17 g/mol
LogP7.28
Rot. Bonds

About 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium)

3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium) (PubChem CID 159171358) has the molecular formula C35H39N5Y6-6 and a molecular weight of 1063.17 g/mol. Its IUPAC name is 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium).

Molecular Properties

Compound Name3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium)
PubChem CID159171358
Molecular FormulaC35H39N5Y6-6
Molecular Weight1063.17 g/mol
Exact Mass1062.76
IUPAC Name3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium)
SMILESCc1[c-]cnc(C)c1.Cc1[c-]nc(C)[c-]c1.Cc1c[c-]c(C)nc1.Cc1c[c-]cnc1C.Cc1c[c-]nc(C)c1.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/3C7H8N.C7H7N.C7H8N.6Y/c2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;;;;;;/h4-5H,1-2H3;2*3,5H,1-2H3;3H,1-2H3;4-5H,1-2H3;;;;;;/q3*-1;-2;-1;;;;;;
InChIKeyVKPROKGWDZQTNS-UHFFFAOYSA-N
XLogP7.28
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.17
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium)?
The IUPAC name of 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium) (CID 159171358) is 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium).
What is the SMILES notation for 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium)?
The canonical SMILES for 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium) is Cc1[c-]cnc(C)c1.Cc1[c-]nc(C)[c-]c1.Cc1c[c-]c(C)nc1.Cc1c[c-]cnc1C.Cc1c[c-]nc(C)c1.[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium)?
The InChIKey is VKPROKGWDZQTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H8N.C7H7N.C7H8N.6Y/c2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;;;;;;/h4-5H,1-2H3;2*3,5H,1-2H3;3H,1-2H3;4-5H,1-2H3;;;;;;/q3*-1;-2;-1;;;;;;.
What are the key properties of 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium)?
3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium) has a molecular weight of 1063.17 g/mol, XLogP of 7.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium) is sourced from PubChem (CID 159171358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).