2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine

C18H12N2S2 — CID 10734487

IUPAC2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine
SMILESc1ccc(-c2cc(-c3cccs3)cc(-c3cccs3)n2)nc1
InChIInChI=1S/C18H12N2S2/c1-2-8-19-14(5-1)15-11-13(17-6-3-9-21-17)12-16(20-15)18-7-4-10-22-18/h1-12H
InChIKeyCJXCYURLNIWMMC-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.60
Rot. Bonds3

About 2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine

2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine (PubChem CID 10734487) has the molecular formula C18H12N2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine
PubChem CID10734487
Molecular FormulaC18H12N2S2
Molecular Weight320.44 g/mol
Exact Mass320.04
IUPAC Name2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine
SMILESc1ccc(-c2cc(-c3cccs3)cc(-c3cccs3)n2)nc1
InChIInChI=1S/C18H12N2S2/c1-2-8-19-14(5-1)15-11-13(17-6-3-9-21-17)12-16(20-15)18-7-4-10-22-18/h1-12H
InChIKeyCJXCYURLNIWMMC-UHFFFAOYSA-N
XLogP5.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine?
The IUPAC name of 2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine (CID 10734487) is 2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine.
What is the SMILES notation for 2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine?
The canonical SMILES for 2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine is c1ccc(-c2cc(-c3cccs3)cc(-c3cccs3)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine?
The InChIKey is CJXCYURLNIWMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S2/c1-2-8-19-14(5-1)15-11-13(17-6-3-9-21-17)12-16(20-15)18-7-4-10-22-18/h1-12H.
What are the key properties of 2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine?
2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine has a molecular weight of 320.44 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine is sourced from PubChem (CID 10734487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).