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

C19H19N3S2 — CID 101050591

IUPAC2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine
SMILESc1ccc(CSCc2cccc(CSCc3ccccn3)n2)nc1
InChIInChI=1S/C19H19N3S2/c1-3-10-20-16(6-1)12-23-14-18-8-5-9-19(22-18)15-24-13-17-7-2-4-11-21-17/h1-11H,12-15H2
InChIKeyVIHYVBWUAWMGIL-UHFFFAOYSA-N
MW353.52 g/mol
LogP4.74
Rot. Bonds8

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

2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine (PubChem CID 101050591) has the molecular formula C19H19N3S2 and a molecular weight of 353.52 g/mol. Its IUPAC name is 2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine
PubChem CID101050591
Molecular FormulaC19H19N3S2
Molecular Weight353.52 g/mol
Exact Mass353.10
IUPAC Name2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine
SMILESc1ccc(CSCc2cccc(CSCc3ccccn3)n2)nc1
InChIInChI=1S/C19H19N3S2/c1-3-10-20-16(6-1)12-23-14-18-8-5-9-19(22-18)15-24-13-17-7-2-4-11-21-17/h1-11H,12-15H2
InChIKeyVIHYVBWUAWMGIL-UHFFFAOYSA-N
XLogP4.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.52
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5519
2,2':6',2''-Terpyridine
CID 70848
1,2-Di(2-pyridyl)ethylene
CID 5374802
2-[5-(2-Pyridyl)-2-thienyl]pyridine
CID 2801704
2,5-Bis(2-pyridylmethylthio)-1,3,4-thiadiazole
CID 660876
Tris(2-pyridylmethyl)amine
CID 379259
2,2'-Ethylenedipyridine
CID 222708
(3Z,5Z)-3,5-bis(pyridin-2-ylmethylidene)thian-4-one
CID 56832546
1,4-Bis(2-(2-pyridinyl)ethyl)piperazine
CID 97230
Pyridine, 2,2'-methylenebis-
CID 422964
3-(2-Pyridinyl)-6-(2-pyridinylmethylthio)pyridazine
CID 7162438
2-{[3-(Pyridin-4-ylthio)cyclohex-1-en-1-yl]ethynyl}pyridine
CID 44403647

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine?
The IUPAC name of 2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine (CID 101050591) is 2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine.
What is the SMILES notation for 2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine?
The canonical SMILES for 2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine is c1ccc(CSCc2cccc(CSCc3ccccn3)n2)nc1.
What is the InChIKey of 2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine?
The InChIKey is VIHYVBWUAWMGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S2/c1-3-10-20-16(6-1)12-23-14-18-8-5-9-19(22-18)15-24-13-17-7-2-4-11-21-17/h1-11H,12-15H2.
What are the key properties of 2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine?
2,6-bis(pyridin-2-ylmethylsulfanylmethyl)pyridine has a molecular weight of 353.52 g/mol, XLogP of 4.74, 8 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-ylmethylsulfanylmethyl)pyridine is sourced from PubChem (CID 101050591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).