2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile

C14H14N2OS — CID 56838305

IUPAC2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCCSc1nc(C)cc(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C14H14N2OS/c1-4-18-14-12(8-15)11(7-9(2)16-14)13-6-5-10(3)17-13/h5-7H,4H2,1-3H3
InChIKeyASSRUAPPXWDUAQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.94
Rot. Bonds3

About 2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile

2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile (PubChem CID 56838305) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
PubChem CID56838305
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCCSc1nc(C)cc(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C14H14N2OS/c1-4-18-14-12(8-15)11(7-9(2)16-14)13-6-5-10(3)17-13/h5-7H,4H2,1-3H3
InChIKeyASSRUAPPXWDUAQ-UHFFFAOYSA-N
XLogP3.94
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile (CID 56838305) is 2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile is CCSc1nc(C)cc(-c2ccc(C)o2)c1C#N.
What is the InChIKey of 2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The InChIKey is ASSRUAPPXWDUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-4-18-14-12(8-15)11(7-9(2)16-14)13-6-5-10(3)17-13/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-methyl-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56838305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).