2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile

C11H14N2S — CID 130817083

IUPAC2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile
SMILESCCCSc1cc(C)c(C#N)c(C)n1
InChIInChI=1S/C11H14N2S/c1-4-5-14-11-6-8(2)10(7-12)9(3)13-11/h6H,4-5H2,1-3H3
InChIKeyFAXVMLSZMCYPRL-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.07
Rot. Bonds3

About 2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile

2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile (PubChem CID 130817083) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile
PubChem CID130817083
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile
SMILESCCCSc1cc(C)c(C#N)c(C)n1
InChIInChI=1S/C11H14N2S/c1-4-5-14-11-6-8(2)10(7-12)9(3)13-11/h6H,4-5H2,1-3H3
InChIKeyFAXVMLSZMCYPRL-UHFFFAOYSA-N
XLogP3.07
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile (CID 130817083) is 2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile is CCCSc1cc(C)c(C#N)c(C)n1.
What is the InChIKey of 2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile?
The InChIKey is FAXVMLSZMCYPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-4-5-14-11-6-8(2)10(7-12)9(3)13-11/h6H,4-5H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile?
2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 130817083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).