1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide

C12H13INS+ — CID 126960183

IUPAC1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide
SMILESC[n+]1ccccc1/C=C/c1cccs1.I
InChIInChI=1S/C12H12NS.HI/c1-13-9-3-2-5-11(13)7-8-12-6-4-10-14-12;/h2-10H,1H3;1H/q+1;/b8-7+;
InChIKeyBJUCHBHVKVCCIK-USRGLUTNSA-N
MW330.21 g/mol
LogP3.36
Rot. Bonds2

About 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide

1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide (PubChem CID 126960183) has the molecular formula C12H13INS+ and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide.

Molecular Properties

Compound Name1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide
PubChem CID126960183
Molecular FormulaC12H13INS+
Molecular Weight330.21 g/mol
Exact Mass329.98
IUPAC Name1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide
SMILESC[n+]1ccccc1/C=C/c1cccs1.I
InChIInChI=1S/C12H12NS.HI/c1-13-9-3-2-5-11(13)7-8-12-6-4-10-14-12;/h2-10H,1H3;1H/q+1;/b8-7+;
InChIKeyBJUCHBHVKVCCIK-USRGLUTNSA-N
XLogP3.36
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium
CID 134115103
4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide
CID 126960791
4-[(E)-2-thiophen-2-ylethenyl]benzo[a]quinolizin-5-ium perchlorate
CID 11143574
3-methyl-2-(2-thiophen-2-ylethenyl)-1,3-benzothiazol-3-ium
CID 5249028
1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide
CID 6444197
3-ethyl-1-methyl-4-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium iodide
CID 134117174
(E)-2-thiophen-2-ylethenol
CID 89297537
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960250
CID 11426392
CID 11426392
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
4-(1-methylpyridin-1-ium-2-yl)but-3-en-2-ol iodide
CID 659032
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide?
The IUPAC name of 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide (CID 126960183) is 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide.
What is the SMILES notation for 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide?
The canonical SMILES for 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide is C[n+]1ccccc1/C=C/c1cccs1.I.
What is the InChIKey of 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide?
The InChIKey is BJUCHBHVKVCCIK-USRGLUTNSA-N. The full InChI is InChI=1S/C12H12NS.HI/c1-13-9-3-2-5-11(13)7-8-12-6-4-10-14-12;/h2-10H,1H3;1H/q+1;/b8-7+;.
What are the key properties of 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide?
1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide has a molecular weight of 330.21 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide is sourced from PubChem (CID 126960183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).