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

C9H8N2WY-2 — CID 59708885

IUPAC1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium
SMILESCc1c[c-]nc2c1[c-]cn2C.[W].[Y]
InChIInChI=1S/C9H8N2.W.Y/c1-7-3-5-10-9-8(7)4-6-11(9)2;;/h3,6H,1-2H3;;/q-2;;
InChIKeyOMBRRJOPVDIFCQ-UHFFFAOYSA-N
MW416.92 g/mol
LogP1.48
Rot. Bonds

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

1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium (PubChem CID 59708885) 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[2,3-b]pyridine-3,6-diide;tungsten;yttrium.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium
PubChem CID59708885
Molecular FormulaC9H8N2WY-2
Molecular Weight416.92 g/mol
Exact Mass416.93
IUPAC Name1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium
SMILESCc1c[c-]nc2c1[c-]cn2C.[W].[Y]
InChIInChI=1S/C9H8N2.W.Y/c1-7-3-5-10-9-8(7)4-6-11(9)2;;/h3,6H,1-2H3;;/q-2;;
InChIKeyOMBRRJOPVDIFCQ-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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Related Compounds

2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium
CID 58813308
N-(4-methyl-3H-pyridin-3-id-2-yl)propan-1-imine;tungsten(2+)
CID 59659044
1,4-Dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium
CID 59708822
4,7-Dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium
CID 59708839
4,7-Dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium
CID 59708852
1,4-Dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium
CID 59708894
2,7-Dimethyl-4,6-dihydropyrrolo[2,3-d]pyrimidine-4,6-diide;tungsten;yttrium
CID 60078403
4,7-dimethyl-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 60111507
7-methyl-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 60111512
4,7-Dimethyl-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium
CID 60111516
1-Methyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 89012886
(3Z)-N-ethenyl-3-ethylidene-1-methylpyrrol-2-imine
CID 138667497

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium?
The IUPAC name of 1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium (CID 59708885) is 1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium?
The canonical SMILES for 1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium is Cc1c[c-]nc2c1[c-]cn2C.[W].[Y].
What is the InChIKey of 1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium?
The InChIKey is OMBRRJOPVDIFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.W.Y/c1-7-3-5-10-9-8(7)4-6-11(9)2;;/h3,6H,1-2H3;;/q-2;;.
What are the key properties of 1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium?
1,4-dimethyl-3,6-dihydropyrrolo[2,3-b]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[2,3-b]pyridine-3,6-diide;tungsten;yttrium is sourced from PubChem (CID 59708885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).