5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium

C9H10NSY- — CID 59218597

IUPAC5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium
SMILES[Y].[c-]1ccc(C2CCCS2)cn1
InChIInChI=1S/C9H10NS.Y/c1-3-8(7-10-5-1)9-4-2-6-11-9;/h1,3,7,9H,2,4,6H2;/q-1;
InChIKeySCNMNCDOSJUPMI-UHFFFAOYSA-N
MW253.16 g/mol
LogP2.45
Rot. Bonds1

About 5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium

5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium (PubChem CID 59218597) has the molecular formula C9H10NSY- and a molecular weight of 253.16 g/mol. Its IUPAC name is 5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium
PubChem CID59218597
Molecular FormulaC9H10NSY-
Molecular Weight253.16 g/mol
Exact Mass252.96
IUPAC Name5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium
SMILES[Y].[c-]1ccc(C2CCCS2)cn1
InChIInChI=1S/C9H10NS.Y/c1-3-8(7-10-5-1)9-4-2-6-11-9;/h1,3,7,9H,2,4,6H2;/q-1;
InChIKeySCNMNCDOSJUPMI-UHFFFAOYSA-N
XLogP2.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 52.45
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 5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium (CID 59218597) is 5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium is [Y].[c-]1ccc(C2CCCS2)cn1.
What is the InChIKey of 5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium?
The InChIKey is SCNMNCDOSJUPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NS.Y/c1-3-8(7-10-5-1)9-4-2-6-11-9;/h1,3,7,9H,2,4,6H2;/q-1;.
What are the key properties of 5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium?
5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium has a molecular weight of 253.16 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiolan-2-yl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 59218597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).