4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile

C12H14N2S — CID 975322

IUPAC4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile
SMILESC=C(C)CSc1nc(C)cc(C)c1C#N
InChIInChI=1S/C12H14N2S/c1-8(2)7-15-12-11(6-13)9(3)5-10(4)14-12/h5H,1,7H2,2-4H3
InChIKeyCVNUZBVVCBNRCL-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.24
Rot. Bonds3

About 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile

4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile (PubChem CID 975322) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile
PubChem CID975322
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile
SMILESC=C(C)CSc1nc(C)cc(C)c1C#N
InChIInChI=1S/C12H14N2S/c1-8(2)7-15-12-11(6-13)9(3)5-10(4)14-12/h5H,1,7H2,2-4H3
InChIKeyCVNUZBVVCBNRCL-UHFFFAOYSA-N
XLogP3.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
CID 676604
4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
4,6-Dimethyl-3-(methylsulfonyl)-2-(propylsulfanyl)pyridine
CID 3507696
2-[(2-Cyclopropyl-2-oxoethyl)thio]-4,6-dimethyl-3-pyridinecarbonitrile
CID 683642
4,6-Dimethyl-2-[(4-nitrobenzyl)thio]nicotinonitrile
CID 736358
4,6-Dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile
CID 919961
2-[(cyanomethyl)sulfanyl]-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
CID 652153
2-(2-methylprop-2-enylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 681230
2-(benzylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 681250
4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
CID 1725159
N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-ethylacetamide
CID 5223232
2-(Benzylsulfanyl)-4,6-dimethylnicotinonitrile
CID 698489

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile (CID 975322) is 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile is C=C(C)CSc1nc(C)cc(C)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is CVNUZBVVCBNRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-8(2)7-15-12-11(6-13)9(3)5-10(4)14-12/h5H,1,7H2,2-4H3.
What are the key properties of 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 218.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 975322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).