1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium

C9H8N2WY-2 — CID 59708846

IUPAC1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium
SMILESCc1n[c-]cc2c1[c-]cn2C.[W].[Y]
InChIInChI=1S/C9H8N2.W.Y/c1-7-8-4-6-11(2)9(8)3-5-10-7;;/h3,6H,1-2H3;;/q-2;;
InChIKeyPRCFIPRTYNCAFC-UHFFFAOYSA-N
MW416.92 g/mol
LogP1.48
Rot. Bonds

About 1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium

1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium (PubChem CID 59708846) has the molecular formula C9H8N2WY-2 and a molecular weight of 416.92 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium
PubChem CID59708846
Molecular FormulaC9H8N2WY-2
Molecular Weight416.92 g/mol
Exact Mass416.93
IUPAC Name1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium
SMILESCc1n[c-]cc2c1[c-]cn2C.[W].[Y]
InChIInChI=1S/C9H8N2.W.Y/c1-7-8-4-6-11(2)9(8)3-5-10-7;;/h3,6H,1-2H3;;/q-2;;
InChIKeyPRCFIPRTYNCAFC-UHFFFAOYSA-N
XLogP1.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 51.48
H-Bond Donors ≤ 50
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 1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium?
The IUPAC name of 1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium (CID 59708846) is 1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium?
The canonical SMILES for 1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium is Cc1n[c-]cc2c1[c-]cn2C.[W].[Y].
What is the InChIKey of 1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium?
The InChIKey is PRCFIPRTYNCAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.W.Y/c1-7-8-4-6-11(2)9(8)3-5-10-7;;/h3,6H,1-2H3;;/q-2;;.
What are the key properties of 1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium?
1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium has a molecular weight of 416.92 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydropyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium is sourced from PubChem (CID 59708846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).