1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide

C11H10BrNS — CID 6444197

IUPAC1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide
SMILESC(=C/[n+]1ccccc1)\c1cccs1.[Br-]
InChIInChI=1S/C11H10NS.BrH/c1-2-7-12(8-3-1)9-6-11-5-4-10-13-11;/h1-10H;1H/q+1;/p-1/b9-6+;
InChIKeySIUOIWNYIUYMGA-MLBSPLJJSA-M
MW268.18 g/mol
LogP-0.33
Rot. Bonds2

About 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide

1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide (PubChem CID 6444197) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide.

Molecular Properties

Compound Name1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide
PubChem CID6444197
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide
SMILESC(=C/[n+]1ccccc1)\c1cccs1.[Br-]
InChIInChI=1S/C11H10NS.BrH/c1-2-7-12(8-3-1)9-6-11-5-4-10-13-11;/h1-10H;1H/q+1;/p-1/b9-6+;
InChIKeySIUOIWNYIUYMGA-MLBSPLJJSA-M
XLogP-0.33
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-thiophen-2-ylethenol
CID 89297537
1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide
CID 126960183
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
CID 11426392
CID 11426392
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
CID 10885407
2-[2-(2-thiophen-2-ylethenylsulfonyl)ethenyl]thiophene
CID 141485128
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine
CID 71412112
2-(2-diphenylphosphorylethenyl)thiophene
CID 73098727
dichloro-methyl-(2-thiophen-2-ylethenyl)silane
CID 131873611
CID 59090948
CID 59090948

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide?
The IUPAC name of 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide (CID 6444197) is 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide.
What is the SMILES notation for 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide?
The canonical SMILES for 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide is C(=C/[n+]1ccccc1)\c1cccs1.[Br-].
What is the InChIKey of 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide?
The InChIKey is SIUOIWNYIUYMGA-MLBSPLJJSA-M. The full InChI is InChI=1S/C11H10NS.BrH/c1-2-7-12(8-3-1)9-6-11-5-4-10-13-11;/h1-10H;1H/q+1;/p-1/b9-6+;.
What are the key properties of 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide?
1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide has a molecular weight of 268.18 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide is sourced from PubChem (CID 6444197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).