3-(1-ethyl-1H-pyrazol-5-yloxy)-5-(pyridin-2-ylthio)picolinonitrile

HCID 67486233
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Basic information

Standard SMILES
CCn1nccc1Oc1cc(Sc2ccccn2)cnc1C#N
InChIKey
XIVOFXWANYTNKL-UHFFFAOYSA-N
Molecular formula
C16H13N5OS
Average molar mass
323.4 g/mol
Monoisotopic mass
323.08408123

Names & identifiers

Preferred name
3-(1-ethyl-1H-pyrazol-5-yloxy)-5-(pyridin-2-ylthio)picolinonitrile
IUPAC
3-(2-ethylpyrazol-3-yl)oxy-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile

Names & synonyms

SCHEMBL2657333XIVOFXWANYTNKL-UHFFFAOYSA-N3-(1-ethyl-1H-pyrazol-5-yloxy)-5-(pyridin-2-ylthio)picolinonitrile

Database identifiers

PubChem CID
67486233

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
102 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
23

Related reactions

8 records
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Compound notes

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