2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine

C18H11ClN2OS — CID 46229631

IUPAC2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine
SMILESClc1ccc(-c2cc(-c3ccoc3)cc(-c3cccnc3)n2)s1
InChIInChI=1S/C18H11ClN2OS/c19-18-4-3-17(23-18)16-9-14(13-5-7-22-11-13)8-15(21-16)12-2-1-6-20-10-12/h1-11H
InChIKeyBETWNYRBWNIWPW-UHFFFAOYSA-N
MW338.82 g/mol
LogP5.79
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine

2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine (PubChem CID 46229631) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine
PubChem CID46229631
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine
SMILESClc1ccc(-c2cc(-c3ccoc3)cc(-c3cccnc3)n2)s1
InChIInChI=1S/C18H11ClN2OS/c19-18-4-3-17(23-18)16-9-14(13-5-7-22-11-13)8-15(21-16)12-2-1-6-20-10-12/h1-11H
InChIKeyBETWNYRBWNIWPW-UHFFFAOYSA-N
XLogP5.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine (CID 46229631) is 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine is Clc1ccc(-c2cc(-c3ccoc3)cc(-c3cccnc3)n2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine?
The InChIKey is BETWNYRBWNIWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c19-18-4-3-17(23-18)16-9-14(13-5-7-22-11-13)8-15(21-16)12-2-1-6-20-10-12/h1-11H.
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine?
2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine has a molecular weight of 338.82 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine is sourced from PubChem (CID 46229631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).