2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile

C11H14N2S — CID 103747842

IUPAC2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile
SMILESCCC(C)CSc1cc(C#N)ccn1
InChIInChI=1S/C11H14N2S/c1-3-9(2)8-14-11-6-10(7-12)4-5-13-11/h4-6,9H,3,8H2,1-2H3
InChIKeyGOKWEDCNJPCXBC-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile

2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile (PubChem CID 103747842) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile
PubChem CID103747842
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile
SMILESCCC(C)CSc1cc(C#N)ccn1
InChIInChI=1S/C11H14N2S/c1-3-9(2)8-14-11-6-10(7-12)4-5-13-11/h4-6,9H,3,8H2,1-2H3
InChIKeyGOKWEDCNJPCXBC-UHFFFAOYSA-N
XLogP3.09
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile (CID 103747842) is 2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile is CCC(C)CSc1cc(C#N)ccn1.
What is the InChIKey of 2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile?
The InChIKey is GOKWEDCNJPCXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-9(2)8-14-11-6-10(7-12)4-5-13-11/h4-6,9H,3,8H2,1-2H3.
What are the key properties of 2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile?
2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile is sourced from PubChem (CID 103747842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).