3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine

C20H14N4S2 — CID 141048540

IUPAC3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine
SMILESc1ccc(-c2cccnc2SSc2ncccc2-c2ccccn2)nc1
InChIInChI=1S/C20H14N4S2/c1-3-11-21-17(9-1)15-7-5-13-23-19(15)25-26-20-16(8-6-14-24-20)18-10-2-4-12-22-18/h1-14H
InChIKeyNQVBPDCALDWXNT-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.40
Rot. Bonds5

About 3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine

3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine (PubChem CID 141048540) has the molecular formula C20H14N4S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine.

Molecular Properties

Compound Name3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine
PubChem CID141048540
Molecular FormulaC20H14N4S2
Molecular Weight374.49 g/mol
Exact Mass374.07
IUPAC Name3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine
SMILESc1ccc(-c2cccnc2SSc2ncccc2-c2ccccn2)nc1
InChIInChI=1S/C20H14N4S2/c1-3-11-21-17(9-1)15-7-5-13-23-19(15)25-26-20-16(8-6-14-24-20)18-10-2-4-12-22-18/h1-14H
InChIKeyNQVBPDCALDWXNT-UHFFFAOYSA-N
XLogP5.40
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

2,3-dipyridin-2-ylpyridine;platinum
CID 87064106
2-(3-pyridin-2-yl-2-pyridinyl)pyrimidine
CID 175779710
copper;2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine
CID 175437011
2-[(3-hydroxy-2-pyridinyl)disulfanyl]pyridin-3-ol
CID 581654
2-(2-methylphenyl)pyridine
CID 144596153
2-[2-[2-(2-pyridin-2-ylphenyl)ethenyl]phenyl]pyridine
CID 154584408
2-pyridin-2-ylphenol;hydrate
CID 175244966
8-pyridin-2-ylquinoline
CID 10982041
(2-pyridin-2-ylphenyl) hypoiodite
CID 126708282
CID 58803467
CID 58803467
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine?
The IUPAC name of 3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine (CID 141048540) is 3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine.
What is the SMILES notation for 3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine?
The canonical SMILES for 3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine is c1ccc(-c2cccnc2SSc2ncccc2-c2ccccn2)nc1.
What is the InChIKey of 3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine?
The InChIKey is NQVBPDCALDWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S2/c1-3-11-21-17(9-1)15-7-5-13-23-19(15)25-26-20-16(8-6-14-24-20)18-10-2-4-12-22-18/h1-14H.
What are the key properties of 3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine?
3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine has a molecular weight of 374.49 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine is sourced from PubChem (CID 141048540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).