2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine

C13H11NS — CID 143836856

IUPAC2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine
SMILESC=C/C=C\c1csc(-c2ccccn2)c1
InChIInChI=1S/C13H11NS/c1-2-3-6-11-9-13(15-10-11)12-7-4-5-8-14-12/h2-10H,1H2/b6-3-
InChIKeyZHKISAFBXXWLIS-UTCJRWHESA-N
MW213.30 g/mol
LogP4.01
Rot. Bonds3

About 2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine

2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine (PubChem CID 143836856) has the molecular formula C13H11NS and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine
PubChem CID143836856
Molecular FormulaC13H11NS
Molecular Weight213.30 g/mol
Exact Mass213.06
IUPAC Name2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine
SMILESC=C/C=C\c1csc(-c2ccccn2)c1
InChIInChI=1S/C13H11NS/c1-2-3-6-11-9-13(15-10-11)12-7-4-5-8-14-12/h2-10H,1H2/b6-3-
InChIKeyZHKISAFBXXWLIS-UTCJRWHESA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propa-1,2-dienylthiophen-2-yl)pyridine
CID 91805925
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
(E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol
CID 22631137
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
2-[6-[(1Z)-buta-1,3-dienyl]-5-methylcyclohexa-1,5-dien-1-yl]pyridine;ethane
CID 145134911
2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine
CID 143627540
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine?
The IUPAC name of 2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine (CID 143836856) is 2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine is C=C/C=C\c1csc(-c2ccccn2)c1.
What is the InChIKey of 2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine?
The InChIKey is ZHKISAFBXXWLIS-UTCJRWHESA-N. The full InChI is InChI=1S/C13H11NS/c1-2-3-6-11-9-13(15-10-11)12-7-4-5-8-14-12/h2-10H,1H2/b6-3-.
What are the key properties of 2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine?
2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine has a molecular weight of 213.30 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 143836856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).