6-ethyl-2-methylsulfanylpyridine-3-carbonitrile

C9H10N2S — CID 58990449

IUPAC6-ethyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCCc1ccc(C#N)c(SC)n1
InChIInChI=1S/C9H10N2S/c1-3-8-5-4-7(6-10)9(11-8)12-2/h4-5H,3H2,1-2H3
InChIKeyAHTHOSMKVJNJJX-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.24
Rot. Bonds2

About 6-ethyl-2-methylsulfanylpyridine-3-carbonitrile

6-ethyl-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 58990449) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 6-ethyl-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID58990449
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name6-ethyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCCc1ccc(C#N)c(SC)n1
InChIInChI=1S/C9H10N2S/c1-3-8-5-4-7(6-10)9(11-8)12-2/h4-5H,3H2,1-2H3
InChIKeyAHTHOSMKVJNJJX-UHFFFAOYSA-N
XLogP2.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-2-methylsulfanylpyridine-3-carbonitrile (CID 58990449) is 6-ethyl-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-2-methylsulfanylpyridine-3-carbonitrile is CCc1ccc(C#N)c(SC)n1.
What is the InChIKey of 6-ethyl-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is AHTHOSMKVJNJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-3-8-5-4-7(6-10)9(11-8)12-2/h4-5H,3H2,1-2H3.
What are the key properties of 6-ethyl-2-methylsulfanylpyridine-3-carbonitrile?
6-ethyl-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 178.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 58990449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).