6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile

C11H12N2OS — CID 62996428

IUPAC6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(SC2CCOCC2)nc1
InChIInChI=1S/C11H12N2OS/c12-7-9-1-2-11(13-8-9)15-10-3-5-14-6-4-10/h1-2,8,10H,3-6H2
InChIKeySWOPNWCYOKKGIV-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.22
Rot. Bonds2

About 6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile

6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile (PubChem CID 62996428) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile
PubChem CID62996428
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(SC2CCOCC2)nc1
InChIInChI=1S/C11H12N2OS/c12-7-9-1-2-11(13-8-9)15-10-3-5-14-6-4-10/h1-2,8,10H,3-6H2
InChIKeySWOPNWCYOKKGIV-UHFFFAOYSA-N
XLogP2.22
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile (CID 62996428) is 6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile is N#Cc1ccc(SC2CCOCC2)nc1.
What is the InChIKey of 6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is SWOPNWCYOKKGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-7-9-1-2-11(13-8-9)15-10-3-5-14-6-4-10/h1-2,8,10H,3-6H2.
What are the key properties of 6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile?
6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 220.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 62996428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).