2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile

C17H12N2OS — CID 666027

IUPAC2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccco2)nc1SCc1ccccc1
InChIInChI=1S/C17H12N2OS/c18-11-14-8-9-15(16-7-4-10-20-16)19-17(14)21-12-13-5-2-1-3-6-13/h1-10H,12H2
InChIKeyKXXYTOAXMLSIDO-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.51
Rot. Bonds4

About 2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile

2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile (PubChem CID 666027) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile
PubChem CID666027
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccco2)nc1SCc1ccccc1
InChIInChI=1S/C17H12N2OS/c18-11-14-8-9-15(16-7-4-10-20-16)19-17(14)21-12-13-5-2-1-3-6-13/h1-10H,12H2
InChIKeyKXXYTOAXMLSIDO-UHFFFAOYSA-N
XLogP4.51
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile (CID 666027) is 2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccco2)nc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile?
The InChIKey is KXXYTOAXMLSIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c18-11-14-8-9-15(16-7-4-10-20-16)19-17(14)21-12-13-5-2-1-3-6-13/h1-10H,12H2.
What are the key properties of 2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile?
2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile has a molecular weight of 292.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 666027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).