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

C9H8N2WY-2 — CID 59708894

IUPAC1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium
SMILES[3H]c1[c-]n(C)c2n[c-]cc(C)c12.[W].[Y]
InChIInChI=1S/C9H8N2.W.Y/c1-7-3-5-10-9-8(7)4-6-11(9)2;;/h3-4H,1-2H3;;/q-2;;/i4T;;
InChIKeyBUVMPABCGYRVBY-GDSHKQBBSA-N
MW418.93 g/mol
LogP1.48
Rot. Bonds

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

1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium (PubChem CID 59708894) has the molecular formula C9H8N2WY-2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium.

Molecular Properties

Compound Name1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium
PubChem CID59708894
Molecular FormulaC9H8N2WY-2
Molecular Weight418.93 g/mol
Exact Mass418.93
IUPAC Name1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium
SMILES[3H]c1[c-]n(C)c2n[c-]cc(C)c12.[W].[Y]
InChIInChI=1S/C9H8N2.W.Y/c1-7-3-5-10-9-8(7)4-6-11(9)2;;/h3-4H,1-2H3;;/q-2;;/i4T;;
InChIKeyBUVMPABCGYRVBY-GDSHKQBBSA-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 ≤ 500418.93
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
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
1,2,4-trimethyl-3-tritio-6H-pyrrolo[2,3-b]pyridin-6-ide;yttrium
CID 59708866
1,4-Dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium
CID 59708885
4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 59708926
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
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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium?
The IUPAC name of 1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium (CID 59708894) is 1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium.
What is the SMILES notation for 1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium?
The canonical SMILES for 1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium is [3H]c1[c-]n(C)c2n[c-]cc(C)c12.[W].[Y].
What is the InChIKey of 1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium?
The InChIKey is BUVMPABCGYRVBY-GDSHKQBBSA-N. The full InChI is InChI=1S/C9H8N2.W.Y/c1-7-3-5-10-9-8(7)4-6-11(9)2;;/h3-4H,1-2H3;;/q-2;;/i4T;;.
What are the key properties of 1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium?
1,4-dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium has a molecular weight of 418.93 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-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium is sourced from PubChem (CID 59708894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).