4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine

C17H14N2S — CID 12672439

IUPAC4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine
SMILESCSc1cc(-c2ccccc2)nc(-c2ccccn2)c1
InChIInChI=1S/C17H14N2S/c1-20-14-11-16(13-7-3-2-4-8-13)19-17(12-14)15-9-5-6-10-18-15/h2-12H,1H3
InChIKeyAAWWKGQCBVAQDI-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.53
Rot. Bonds3

About 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine

4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine (PubChem CID 12672439) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine
PubChem CID12672439
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine
SMILESCSc1cc(-c2ccccc2)nc(-c2ccccn2)c1
InChIInChI=1S/C17H14N2S/c1-20-14-11-16(13-7-3-2-4-8-13)19-17(12-14)15-9-5-6-10-18-15/h2-12H,1H3
InChIKeyAAWWKGQCBVAQDI-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine?
The IUPAC name of 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine (CID 12672439) is 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine is CSc1cc(-c2ccccc2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine?
The InChIKey is AAWWKGQCBVAQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-20-14-11-16(13-7-3-2-4-8-13)19-17(12-14)15-9-5-6-10-18-15/h2-12H,1H3.
What are the key properties of 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine?
4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine has a molecular weight of 278.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine is sourced from PubChem (CID 12672439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).