7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium

C7H5N2OY- — CID 140643307

IUPAC7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium
SMILES[O-][n+]1cc[c-]c2cc[nH]c21.[Y]
InChIInChI=1S/C7H5N2O.Y/c10-9-5-1-2-6-3-4-8-7(6)9;/h1,3-5,8H;/q-1;
InChIKeyMKVAKRWNFATVJS-UHFFFAOYSA-N
MW222.04 g/mol
LogP0.60
Rot. Bonds

About 7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium

7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium (PubChem CID 140643307) has the molecular formula C7H5N2OY- and a molecular weight of 222.04 g/mol. Its IUPAC name is 7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium.

Molecular Properties

Compound Name7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium
PubChem CID140643307
Molecular FormulaC7H5N2OY-
Molecular Weight222.04 g/mol
Exact Mass221.95
IUPAC Name7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium
SMILES[O-][n+]1cc[c-]c2cc[nH]c21.[Y]
InChIInChI=1S/C7H5N2O.Y/c10-9-5-1-2-6-3-4-8-7(6)9;/h1,3-5,8H;/q-1;
InChIKeyMKVAKRWNFATVJS-UHFFFAOYSA-N
XLogP0.60
TPSA42.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.04
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5,6-Dihydro-7-azaindole
CID 70639991
1,4-Dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten
CID 58431408
5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine
CID 87787454
4,7-Dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten
CID 140806118
5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
CID 144007412
4,7-Dihydropyrrolo[2,3-d]pyrimidin-4-ide
CID 150748099
Carbanide;4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ide;yttrium
CID 157807586

Frequently Asked Questions

What is the IUPAC name of 7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium?
The IUPAC name of 7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium (CID 140643307) is 7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium.
What is the SMILES notation for 7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium?
The canonical SMILES for 7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium is [O-][n+]1cc[c-]c2cc[nH]c21.[Y].
What is the InChIKey of 7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium?
The InChIKey is MKVAKRWNFATVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2O.Y/c10-9-5-1-2-6-3-4-8-7(6)9;/h1,3-5,8H;/q-1;.
What are the key properties of 7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium?
7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium has a molecular weight of 222.04 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxido-1,4-dihydropyrrolo[2,3-b]pyridin-7-ium-4-ide;yttrium is sourced from PubChem (CID 140643307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).