4-[(E)-2-phenylethenyl]pyridin-1-ium chloride

C13H12ClN — CID 139257752

IUPAC4-[(E)-2-phenylethenyl]pyridin-1-ium chloride
SMILESC(=C/c1cc[nH+]cc1)\c1ccccc1.[Cl-]
InChIInChI=1S/C13H11N.ClH/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;/h1-11H;1H/b7-6+;
InChIKeyLIOMEEIPDNUTRD-UHDJGPCESA-N
MW217.70 g/mol
LogP-0.32
Rot. Bonds2

About 4-[(E)-2-phenylethenyl]pyridin-1-ium chloride

4-[(E)-2-phenylethenyl]pyridin-1-ium chloride (PubChem CID 139257752) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]pyridin-1-ium chloride.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]pyridin-1-ium chloride
PubChem CID139257752
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name4-[(E)-2-phenylethenyl]pyridin-1-ium chloride
SMILESC(=C/c1cc[nH+]cc1)\c1ccccc1.[Cl-]
InChIInChI=1S/C13H11N.ClH/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;/h1-11H;1H/b7-6+;
InChIKeyLIOMEEIPDNUTRD-UHDJGPCESA-N
XLogP-0.32
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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disodium;hydride;(E)-stilbene
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4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium dinitrate
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4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 102059663
stilbene azide
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4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
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CID 68618408

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]pyridin-1-ium chloride?
The IUPAC name of 4-[(E)-2-phenylethenyl]pyridin-1-ium chloride (CID 139257752) is 4-[(E)-2-phenylethenyl]pyridin-1-ium chloride.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]pyridin-1-ium chloride?
The canonical SMILES for 4-[(E)-2-phenylethenyl]pyridin-1-ium chloride is C(=C/c1cc[nH+]cc1)\c1ccccc1.[Cl-].
What is the InChIKey of 4-[(E)-2-phenylethenyl]pyridin-1-ium chloride?
The InChIKey is LIOMEEIPDNUTRD-UHDJGPCESA-N. The full InChI is InChI=1S/C13H11N.ClH/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;/h1-11H;1H/b7-6+;.
What are the key properties of 4-[(E)-2-phenylethenyl]pyridin-1-ium chloride?
4-[(E)-2-phenylethenyl]pyridin-1-ium chloride has a molecular weight of 217.70 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]pyridin-1-ium chloride is sourced from PubChem (CID 139257752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).