3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium

C9H5NSY-2 — CID 58813669

IUPAC3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium
SMILES[Y].[c-]1ncccc1-c1[c-]scc1
InChIInChI=1S/C9H5NS.Y/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h1-5H;/q-2;
InChIKeyNTKJMCYOCKZGPK-UHFFFAOYSA-N
MW248.12 g/mol
LogP2.41
Rot. Bonds1

About 3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium

3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium (PubChem CID 58813669) has the molecular formula C9H5NSY-2 and a molecular weight of 248.12 g/mol. Its IUPAC name is 3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium
PubChem CID58813669
Molecular FormulaC9H5NSY-2
Molecular Weight248.12 g/mol
Exact Mass247.92
IUPAC Name3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium
SMILES[Y].[c-]1ncccc1-c1[c-]scc1
InChIInChI=1S/C9H5NS.Y/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h1-5H;/q-2;
InChIKeyNTKJMCYOCKZGPK-UHFFFAOYSA-N
XLogP2.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 52.41
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

3-(3H-thiophen-3-id-2-yl)-2H-pyridin-2-ide;yttrium
CID 58813750
3-Thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene
CID 140968629

Frequently Asked Questions

What is the IUPAC name of 3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium (CID 58813669) is 3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium is [Y].[c-]1ncccc1-c1[c-]scc1.
What is the InChIKey of 3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium?
The InChIKey is NTKJMCYOCKZGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NS.Y/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h1-5H;/q-2;.
What are the key properties of 3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium?
3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium has a molecular weight of 248.12 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-thiophen-2-id-3-yl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 58813669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).