3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine

C20H13ClN2S — CID 86226405

IUPAC3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine
SMILESClc1ccc(-c2ccc(-c3ccccn3)nc2-c2cccs2)cc1
InChIInChI=1S/C20H13ClN2S/c21-15-8-6-14(7-9-15)16-10-11-18(17-4-1-2-12-22-17)23-20(16)19-5-3-13-24-19/h1-13H
InChIKeyXLTWRJHXXNNXEB-UHFFFAOYSA-N
MW348.86 g/mol
LogP6.19
Rot. Bonds3

About 3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine

3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine (PubChem CID 86226405) has the molecular formula C20H13ClN2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine
PubChem CID86226405
Molecular FormulaC20H13ClN2S
Molecular Weight348.86 g/mol
Exact Mass348.05
IUPAC Name3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine
SMILESClc1ccc(-c2ccc(-c3ccccn3)nc2-c2cccs2)cc1
InChIInChI=1S/C20H13ClN2S/c21-15-8-6-14(7-9-15)16-10-11-18(17-4-1-2-12-22-17)23-20(16)19-5-3-13-24-19/h1-13H
InChIKeyXLTWRJHXXNNXEB-UHFFFAOYSA-N
XLogP6.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.86
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 102119694
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255
2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine
CID 10734487
3,6-diphenyl-2-pyridin-2-ylpyridine
CID 11652473
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
4-(4-chlorophenyl)-2-pyridin-2-yl-5H-indeno[1,2-b]pyridine
CID 102085470
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 102423646
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
2-chloro-3-fluoro-6-pyridin-2-ylpyridine
CID 175788383
5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 67382265
2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
CID 3734578

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine?
The IUPAC name of 3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine (CID 86226405) is 3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine?
The canonical SMILES for 3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine is Clc1ccc(-c2ccc(-c3ccccn3)nc2-c2cccs2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine?
The InChIKey is XLTWRJHXXNNXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2S/c21-15-8-6-14(7-9-15)16-10-11-18(17-4-1-2-12-22-17)23-20(16)19-5-3-13-24-19/h1-13H.
What are the key properties of 3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine?
3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine has a molecular weight of 348.86 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-pyridin-2-yl-2-thiophen-2-ylpyridine is sourced from PubChem (CID 86226405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).