6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol

C14H10N4S — CID 136854518

IUPAC6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol
SMILESSc1ccc(-c2cnc(-c3ccccn3)cn2)nc1
InChIInChI=1S/C14H10N4S/c19-10-4-5-12(16-7-10)14-9-17-13(8-18-14)11-3-1-2-6-15-11/h1-9,19H
InChIKeyHVQILBXFYXXUPL-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.89
Rot. Bonds2

About 6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol

6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol (PubChem CID 136854518) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol.

Molecular Properties

Compound Name6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol
PubChem CID136854518
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol
SMILESSc1ccc(-c2cnc(-c3ccccn3)cn2)nc1
InChIInChI=1S/C14H10N4S/c19-10-4-5-12(16-7-10)14-9-17-13(8-18-14)11-3-1-2-6-15-11/h1-9,19H
InChIKeyHVQILBXFYXXUPL-UHFFFAOYSA-N
XLogP2.89
TPSA51.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol
CID 152516981
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
lithium 5-methanidyl-2-pyridin-2-ylpyridine
CID 15509438

Frequently Asked Questions

What is the IUPAC name of 6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol?
The IUPAC name of 6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol (CID 136854518) is 6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol.
What is the SMILES notation for 6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol?
The canonical SMILES for 6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol is Sc1ccc(-c2cnc(-c3ccccn3)cn2)nc1.
What is the InChIKey of 6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol?
The InChIKey is HVQILBXFYXXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c19-10-4-5-12(16-7-10)14-9-17-13(8-18-14)11-3-1-2-6-15-11/h1-9,19H.
What are the key properties of 6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol?
6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol has a molecular weight of 266.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-pyridin-2-ylpyrazin-2-yl)pyridine-3-thiol is sourced from PubChem (CID 136854518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).