2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide

C15H12INS2 — CID 46906677

IUPAC2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide
SMILESC(=C/c1ccc(-c2cccs2)s1)\c1ccccn1.I
InChIInChI=1S/C15H11NS2.HI/c1-2-10-16-12(4-1)6-7-13-8-9-15(18-13)14-5-3-11-17-14;/h1-11H;1H/b7-6+;
InChIKeyDCJFXKIUAUCJEI-UHDJGPCESA-N
MW397.31 g/mol
LogP5.66
Rot. Bonds3

About 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide

2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide (PubChem CID 46906677) has the molecular formula C15H12INS2 and a molecular weight of 397.31 g/mol. Its IUPAC name is 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide.

Molecular Properties

Compound Name2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide
PubChem CID46906677
Molecular FormulaC15H12INS2
Molecular Weight397.31 g/mol
Exact Mass396.95
IUPAC Name2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide
SMILESC(=C/c1ccc(-c2cccs2)s1)\c1ccccn1.I
InChIInChI=1S/C15H11NS2.HI/c1-2-10-16-12(4-1)6-7-13-8-9-15(18-13)14-5-3-11-17-14;/h1-11H;1H/b7-6+;
InChIKeyDCJFXKIUAUCJEI-UHDJGPCESA-N
XLogP5.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2'-Thienyl)pyridine
CID 76832
Pyridine, 2,6-di-2-thienyl-
CID 182228
3-(3-Thienyl)pyridine
CID 595254
3-(2-Thienyl)pyridine
CID 595145
5-(2-Pyridinyl)-2-thiophenesulfonamide
CID 2760514
2-Fluoro-5-(3-methylthiophen-2-yl)pyridine
CID 11148236
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
CID 761521
2-[5-(2-Pyridyl)-2-thienyl]pyridine
CID 2801704
1-((thiophen-2-yl)methyl)-1H-pyrrole
CID 2804470
2-[5-[(3-Chlorophenyl)thio]-2-thiophenyl]pyridine
CID 2820903
2-(Pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 947049

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide?
The IUPAC name of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide (CID 46906677) is 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide.
What is the SMILES notation for 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide?
The canonical SMILES for 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide is C(=C/c1ccc(-c2cccs2)s1)\c1ccccn1.I.
What is the InChIKey of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide?
The InChIKey is DCJFXKIUAUCJEI-UHDJGPCESA-N. The full InChI is InChI=1S/C15H11NS2.HI/c1-2-10-16-12(4-1)6-7-13-8-9-15(18-13)14-5-3-11-17-14;/h1-11H;1H/b7-6+;.
What are the key properties of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide?
2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide has a molecular weight of 397.31 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridine;hydroiodide is sourced from PubChem (CID 46906677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).