2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine

C17H15N3S2 — CID 678980

IUPAC2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine
SMILESc1ccc(SCc2cccc(CSc3ccccn3)n2)nc1
InChIInChI=1S/C17H15N3S2/c1-3-10-18-16(8-1)21-12-14-6-5-7-15(20-14)13-22-17-9-2-4-11-19-17/h1-11H,12-13H2
InChIKeyJSQHOHXFQOEXGY-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.46
Rot. Bonds6

About 2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine

2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine (PubChem CID 678980) has the molecular formula C17H15N3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine
PubChem CID678980
Molecular FormulaC17H15N3S2
Molecular Weight325.46 g/mol
Exact Mass325.07
IUPAC Name2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine
SMILESc1ccc(SCc2cccc(CSc3ccccn3)n2)nc1
InChIInChI=1S/C17H15N3S2/c1-3-10-18-16(8-1)21-12-14-6-5-7-15(20-14)13-22-17-9-2-4-11-19-17/h1-11H,12-13H2
InChIKeyJSQHOHXFQOEXGY-UHFFFAOYSA-N
XLogP4.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine?
The IUPAC name of 2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine (CID 678980) is 2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine.
What is the SMILES notation for 2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine?
The canonical SMILES for 2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine is c1ccc(SCc2cccc(CSc3ccccn3)n2)nc1.
What is the InChIKey of 2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine?
The InChIKey is JSQHOHXFQOEXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S2/c1-3-10-18-16(8-1)21-12-14-6-5-7-15(20-14)13-22-17-9-2-4-11-19-17/h1-11H,12-13H2.
What are the key properties of 2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine?
2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine has a molecular weight of 325.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(pyridin-2-ylsulfanylmethyl)pyridine is sourced from PubChem (CID 678980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).