4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine

C22H18N2OS — CID 58234812

IUPAC4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine
SMILESCOc1ccc(-c2cc(-c3ccccn3)nc(-c3sccc3C)c2)cc1
InChIInChI=1S/C22H18N2OS/c1-15-10-12-26-22(15)21-14-17(16-6-8-18(25-2)9-7-16)13-20(24-21)19-5-3-4-11-23-19/h3-14H,1-2H3
InChIKeyBGZYZFHXYYNUAA-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.86
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine

4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine (PubChem CID 58234812) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine
PubChem CID58234812
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine
SMILESCOc1ccc(-c2cc(-c3ccccn3)nc(-c3sccc3C)c2)cc1
InChIInChI=1S/C22H18N2OS/c1-15-10-12-26-22(15)21-14-17(16-6-8-18(25-2)9-7-16)13-20(24-21)19-5-3-4-11-23-19/h3-14H,1-2H3
InChIKeyBGZYZFHXYYNUAA-UHFFFAOYSA-N
XLogP5.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine (CID 58234812) is 4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine is COc1ccc(-c2cc(-c3ccccn3)nc(-c3sccc3C)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine?
The InChIKey is BGZYZFHXYYNUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-15-10-12-26-22(15)21-14-17(16-6-8-18(25-2)9-7-16)13-20(24-21)19-5-3-4-11-23-19/h3-14H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine?
4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine has a molecular weight of 358.47 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 58234812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).