6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile

C10H10N2S — CID 5259315

IUPAC6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
SMILESC=CCSc1nc(C)ccc1C#N
InChIInChI=1S/C10H10N2S/c1-3-6-13-10-9(7-11)5-4-8(2)12-10/h3-5H,1,6H2,2H3
InChIKeyVJUPNYZHAGLVJL-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.54
Rot. Bonds3

About 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile

6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile (PubChem CID 5259315) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
PubChem CID5259315
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
SMILESC=CCSc1nc(C)ccc1C#N
InChIInChI=1S/C10H10N2S/c1-3-6-13-10-9(7-11)5-4-8(2)12-10/h3-5H,1,6H2,2H3
InChIKeyVJUPNYZHAGLVJL-UHFFFAOYSA-N
XLogP2.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile (CID 5259315) is 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile is C=CCSc1nc(C)ccc1C#N.
What is the InChIKey of 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile?
The InChIKey is VJUPNYZHAGLVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-3-6-13-10-9(7-11)5-4-8(2)12-10/h3-5H,1,6H2,2H3.
What are the key properties of 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile?
6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile has a molecular weight of 190.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 5259315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).