2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc

C13H8NSYZn- — CID 20747772

IUPAC2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc
SMILES[Y].[Zn].[c-]1c(-c2ccccn2)sc2ccccc12
InChIInChI=1S/C13H8NS.Y.Zn/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;;/h1-8H;;/q-1;;
InChIKeySDUNWTHYZBNOQK-UHFFFAOYSA-N
MW364.58 g/mol
LogP3.76
Rot. Bonds1

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc (PubChem CID 20747772) has the molecular formula C13H8NSYZn- and a molecular weight of 364.58 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc.

Molecular Properties

Compound Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc
PubChem CID20747772
Molecular FormulaC13H8NSYZn-
Molecular Weight364.58 g/mol
Exact Mass362.87
IUPAC Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc
SMILES[Y].[Zn].[c-]1c(-c2ccccn2)sc2ccccc12
InChIInChI=1S/C13H8NS.Y.Zn/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;;/h1-8H;;/q-1;;
InChIKeySDUNWTHYZBNOQK-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(Phenylthio)ethyl)pyridine
CID 88779
2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine
CID 5713317
2-(Benzo(b)thiophen-2-yl)pyridine
CID 11505853
2-Methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine
CID 746696
Dimethyl-[2-(2-phenyl-pyridin-4-ylsulfanyl)-ethyl]-amine
CID 44374234
3-Methyl-2-[2-(2-methylsulfonylphenyl)ethynyl]pyridine
CID 44452427
2-[2-(2-Methylsulfonylphenyl)ethynyl]pyridine
CID 44452451
4-Benzylsulfanylpyridine
CID 318267
2-Benzylsulfanylpyridine
CID 472961
Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride
CID 88778
Pyridine, 4-(3-(phenylthio)propyl)-, hydrochloride
CID 114037
2-Methyl-5-{2-[(4-methylphenyl)thio]ethyl}pyridine
CID 778822

Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc?
The IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc (CID 20747772) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc.
What is the SMILES notation for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc?
The canonical SMILES for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc is [Y].[Zn].[c-]1c(-c2ccccn2)sc2ccccc12.
What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc?
The InChIKey is SDUNWTHYZBNOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8NS.Y.Zn/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;;/h1-8H;;/q-1;;.
What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc?
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc has a molecular weight of 364.58 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;yttrium;zinc is sourced from PubChem (CID 20747772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).