2-(4-propa-1,2-dienylthiophen-2-yl)pyridine

C12H9NS — CID 91805925

IUPAC2-(4-propa-1,2-dienylthiophen-2-yl)pyridine
SMILESC=C=Cc1csc(-c2ccccn2)c1
InChIInChI=1S/C12H9NS/c1-2-5-10-8-12(14-9-10)11-6-3-4-7-13-11/h3-9H,1H2
InChIKeyDEZSQLCIBXAUGF-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.61
Rot. Bonds2

About 2-(4-propa-1,2-dienylthiophen-2-yl)pyridine

2-(4-propa-1,2-dienylthiophen-2-yl)pyridine (PubChem CID 91805925) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(4-propa-1,2-dienylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-propa-1,2-dienylthiophen-2-yl)pyridine
PubChem CID91805925
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name2-(4-propa-1,2-dienylthiophen-2-yl)pyridine
SMILESC=C=Cc1csc(-c2ccccn2)c1
InChIInChI=1S/C12H9NS/c1-2-5-10-8-12(14-9-10)11-6-3-4-7-13-11/h3-9H,1H2
InChIKeyDEZSQLCIBXAUGF-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine
CID 143836856
2-(5-propa-1,2-dienylthiophen-2-yl)pyridine
CID 91148303
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
(Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol
CID 174475783
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2-(4-propa-1,2-dienylthiophen-2-yl)pyridine?
The IUPAC name of 2-(4-propa-1,2-dienylthiophen-2-yl)pyridine (CID 91805925) is 2-(4-propa-1,2-dienylthiophen-2-yl)pyridine.
What is the SMILES notation for 2-(4-propa-1,2-dienylthiophen-2-yl)pyridine?
The canonical SMILES for 2-(4-propa-1,2-dienylthiophen-2-yl)pyridine is C=C=Cc1csc(-c2ccccn2)c1.
What is the InChIKey of 2-(4-propa-1,2-dienylthiophen-2-yl)pyridine?
The InChIKey is DEZSQLCIBXAUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-2-5-10-8-12(14-9-10)11-6-3-4-7-13-11/h3-9H,1H2.
What are the key properties of 2-(4-propa-1,2-dienylthiophen-2-yl)pyridine?
2-(4-propa-1,2-dienylthiophen-2-yl)pyridine has a molecular weight of 199.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propa-1,2-dienylthiophen-2-yl)pyridine is sourced from PubChem (CID 91805925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).