5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine

C18H16N2OS — CID 126470938

IUPAC5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine
SMILESCSc1ccc(-c2ccc(OCc3ccccn3)nc2)cc1
InChIInChI=1S/C18H16N2OS/c1-22-17-8-5-14(6-9-17)15-7-10-18(20-12-15)21-13-16-4-2-3-11-19-16/h2-12H,13H2,1H3
InChIKeyJPXALZWLSOKHKF-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.44
Rot. Bonds5

About 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine

5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine (PubChem CID 126470938) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine
PubChem CID126470938
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine
SMILESCSc1ccc(-c2ccc(OCc3ccccn3)nc2)cc1
InChIInChI=1S/C18H16N2OS/c1-22-17-8-5-14(6-9-17)15-7-10-18(20-12-15)21-13-16-4-2-3-11-19-16/h2-12H,13H2,1H3
InChIKeyJPXALZWLSOKHKF-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11973809
CID 11973809
CID 25119062
CID 25119062
CID 25119406
CID 25119406
CID 134817809
CID 134817809
CID 44522548
CID 44522548
CID 72711194
CID 72711194
CID 73347617
CID 73347617
CID 122184567
CID 122184567
CID 122184568
CID 122184568
CID 122184569
CID 122184569
CID 145981987
CID 145981987
CID 7162173
CID 7162173

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine?
The IUPAC name of 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine (CID 126470938) is 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine.
What is the SMILES notation for 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine?
The canonical SMILES for 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine is CSc1ccc(-c2ccc(OCc3ccccn3)nc2)cc1.
What is the InChIKey of 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine?
The InChIKey is JPXALZWLSOKHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-22-17-8-5-14(6-9-17)15-7-10-18(20-12-15)21-13-16-4-2-3-11-19-16/h2-12H,13H2,1H3.
What are the key properties of 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine?
5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine has a molecular weight of 308.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethoxy)pyridine is sourced from PubChem (CID 126470938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).