2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile

C14H8N4S — CID 78426306

IUPAC2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile
SMILESCC1=CC(c2cccs2)=C(C#N)C(=C(C#N)C#N)N1
InChIInChI=1S/C14H8N4S/c1-9-5-11(13-3-2-4-19-13)12(8-17)14(18-9)10(6-15)7-16/h2-5,18H,1H3
InChIKeyVDMMSHLROALIJY-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.83
Rot. Bonds1

About 2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile

2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile (PubChem CID 78426306) has the molecular formula C14H8N4S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile
PubChem CID78426306
Molecular FormulaC14H8N4S
Molecular Weight264.31 g/mol
Exact Mass264.05
IUPAC Name2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile
SMILESCC1=CC(c2cccs2)=C(C#N)C(=C(C#N)C#N)N1
InChIInChI=1S/C14H8N4S/c1-9-5-11(13-3-2-4-19-13)12(8-17)14(18-9)10(6-15)7-16/h2-5,18H,1H3
InChIKeyVDMMSHLROALIJY-UHFFFAOYSA-N
XLogP2.83
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile
CID 3664324
5-ethyl-5-methyl-4-oxo-2-thiophen-2-ylfuran-3-carbonitrile
CID 102363861
2-(6-methyl-2-thiophen-2-ylchromen-4-ylidene)propanedinitrile
CID 4780188
2-(2,6-dimethylphenyl)thiophene
CID 58838883
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
2-(1,1-dioxo-2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)propanedinitrile
CID 10020784
5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 82113760
5-thiophen-2-ylthiophene-2-carbonitrile
CID 2739839
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
ethane;thiophene-2-carbonitrile
CID 143604797
7-methyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-6-carbonitrile
CID 167190829

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile?
The IUPAC name of 2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile (CID 78426306) is 2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile is CC1=CC(c2cccs2)=C(C#N)C(=C(C#N)C#N)N1.
What is the InChIKey of 2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile?
The InChIKey is VDMMSHLROALIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4S/c1-9-5-11(13-3-2-4-19-13)12(8-17)14(18-9)10(6-15)7-16/h2-5,18H,1H3.
What are the key properties of 2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile?
2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile has a molecular weight of 264.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methyl-4-thiophen-2-yl-1H-pyridin-2-ylidene)propanedinitrile is sourced from PubChem (CID 78426306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).