2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile

C11H7N3S2 — CID 91874908

IUPAC2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1SSc1ccccn1
InChIInChI=1S/C11H7N3S2/c12-8-9-4-3-7-14-11(9)16-15-10-5-1-2-6-13-10/h1-7H
InChIKeyKVJJKUZDSBEGCN-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.15
Rot. Bonds3

About 2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile

2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile (PubChem CID 91874908) has the molecular formula C11H7N3S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile
PubChem CID91874908
Molecular FormulaC11H7N3S2
Molecular Weight245.33 g/mol
Exact Mass245.01
IUPAC Name2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1SSc1ccccn1
InChIInChI=1S/C11H7N3S2/c12-8-9-4-3-7-14-11(9)16-15-10-5-1-2-6-13-10/h1-7H
InChIKeyKVJJKUZDSBEGCN-UHFFFAOYSA-N
XLogP3.15
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyrithione Zinc
CID 26041
Dipyrithione
CID 3109
2,2'-Dipyridyl disulfide
CID 65093
3-Cyanopyridine
CID 79
2-(3-Pyridinylmethylene)propanedinitrile
CID 23905
4,4'-Dithiodipyridine
CID 75846
(E)-3-(2-(4-Pyridyl)vinyl)pyridine
CID 5806688
1-(3-Pyridyl)-2-(4-pyridyl)-ethylene
CID 84652
Nicotinaldehyde (3-pyridylmethylene)hydrazone
CID 6861454
4,4'-(Dithiodimethylene)dipyridine
CID 199500
3-Pyridinecarboxaldehyde, 2-(3-pyridinylmethylene)hydrazone
CID 101482
2-Phenyl-3-(3-pyridinyl)acrylonitrile
CID 1714590

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile (CID 91874908) is 2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile is N#Cc1cccnc1SSc1ccccn1.
What is the InChIKey of 2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile?
The InChIKey is KVJJKUZDSBEGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3S2/c12-8-9-4-3-7-14-11(9)16-15-10-5-1-2-6-13-10/h1-7H.
What are the key properties of 2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile?
2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-yldisulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 91874908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).