2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile

C15H14N2OS — CID 653669

IUPAC2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCSc1nc(-c2ccc(OC)cc2)ccc1C#N
InChIInChI=1S/C15H14N2OS/c1-3-19-15-12(10-16)6-9-14(17-15)11-4-7-13(18-2)8-5-11/h4-9H,3H2,1-2H3
InChIKeyFTVQHABQGQPSRO-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.74
Rot. Bonds4

About 2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile

2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 653669) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID653669
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCSc1nc(-c2ccc(OC)cc2)ccc1C#N
InChIInChI=1S/C15H14N2OS/c1-3-19-15-12(10-16)6-9-14(17-15)11-4-7-13(18-2)8-5-11/h4-9H,3H2,1-2H3
InChIKeyFTVQHABQGQPSRO-UHFFFAOYSA-N
XLogP3.74
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 653669) is 2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile is CCSc1nc(-c2ccc(OC)cc2)ccc1C#N.
What is the InChIKey of 2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is FTVQHABQGQPSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-3-19-15-12(10-16)6-9-14(17-15)11-4-7-13(18-2)8-5-11/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 653669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).