2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium

C14H13ClNO+ — CID 101219722

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium
SMILESCO[n+]1ccccc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClNO/c1-17-16-11-3-2-4-14(16)10-7-12-5-8-13(15)9-6-12/h2-11H,1H3/q+1/b10-7+
InChIKeyKEZYADIMEUITKX-JXMROGBWSA-N
MW246.72 g/mol
LogP2.86
Rot. Bonds3

About 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium

2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium (PubChem CID 101219722) has the molecular formula C14H13ClNO+ and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium
PubChem CID101219722
Molecular FormulaC14H13ClNO+
Molecular Weight246.72 g/mol
Exact Mass246.07
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium
SMILESCO[n+]1ccccc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClNO/c1-17-16-11-3-2-4-14(16)10-7-12-5-8-13(15)9-6-12/h2-11H,1H3/q+1/b10-7+
InChIKeyKEZYADIMEUITKX-JXMROGBWSA-N
XLogP2.86
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 52.86
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

4-chlorobenzenesulfonate;2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydrate
CID 139080569
4-bromobenzenesulfonate;2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyridin-1-ium
CID 139077113
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
(Z)-N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]benzenecarboximidate
CID 177427763
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960250
4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium
CID 703607
1-(4-chlorophenyl)-2-[2-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone bromide
CID 177256626
4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
CID 5339483
4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960038
3-[(E)-2-(4-chlorophenyl)ethenyl]-5-(4-methoxyphenyl)-2-methyl-1,2-oxazol-2-ium
CID 11742494
1-methoxypyridin-1-ium-2-ol
CID 90783098
4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide
CID 126960791

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium (CID 101219722) is 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium is CO[n+]1ccccc1/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium?
The InChIKey is KEZYADIMEUITKX-JXMROGBWSA-N. The full InChI is InChI=1S/C14H13ClNO/c1-17-16-11-3-2-4-14(16)10-7-12-5-8-13(15)9-6-12/h2-11H,1H3/q+1/b10-7+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium?
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium has a molecular weight of 246.72 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methoxypyridin-1-ium is sourced from PubChem (CID 101219722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).