3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium

C8H7NO2WY-2 — CID 59350058

IUPAC3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium
SMILESCc1[c-]nc(C(=O)O)c(C)[c-]1.[W].[Y]
InChIInChI=1S/C8H7NO2.W.Y/c1-5-3-6(2)7(8(10)11)9-4-5;;/h1-2H3,(H,10,11);;/q-2;;
InChIKeyOSSKCWKSTVYPRG-UHFFFAOYSA-N
MW421.90 g/mol
LogP0.99
Rot. Bonds1

About 3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium

3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium (PubChem CID 59350058) has the molecular formula C8H7NO2WY-2 and a molecular weight of 421.90 g/mol. Its IUPAC name is 3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium.

Molecular Properties

Compound Name3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium
PubChem CID59350058
Molecular FormulaC8H7NO2WY-2
Molecular Weight421.90 g/mol
Exact Mass421.91
IUPAC Name3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium
SMILESCc1[c-]nc(C(=O)O)c(C)[c-]1.[W].[Y]
InChIInChI=1S/C8H7NO2.W.Y/c1-5-3-6(2)7(8(10)11)9-4-5;;/h1-2H3,(H,10,11);;/q-2;;
InChIKeyOSSKCWKSTVYPRG-UHFFFAOYSA-N
XLogP0.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.90
LogP ≤ 50.99
H-Bond Donors ≤ 51
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 3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium?
The IUPAC name of 3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium (CID 59350058) is 3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium.
What is the SMILES notation for 3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium?
The canonical SMILES for 3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium is Cc1[c-]nc(C(=O)O)c(C)[c-]1.[W].[Y].
What is the InChIKey of 3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium?
The InChIKey is OSSKCWKSTVYPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2.W.Y/c1-5-3-6(2)7(8(10)11)9-4-5;;/h1-2H3,(H,10,11);;/q-2;;.
What are the key properties of 3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium?
3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium has a molecular weight of 421.90 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,4-dihydropyridine-2,4-diide-6-carboxylic acid;tungsten;yttrium is sourced from PubChem (CID 59350058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).