2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium

C14H12Cl2N+ — CID 4172203

IUPAC2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium
SMILESC[n+]1ccccc1C=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N/c1-17-10-3-2-5-11(17)8-9-12-13(15)6-4-7-14(12)16/h2-10H,1H3/q+1
InChIKeyHILYGOLOXTXUTE-UHFFFAOYSA-N
MW265.16 g/mol
LogP3.99
Rot. Bonds2

About 2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium

2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium (PubChem CID 4172203) has the molecular formula C14H12Cl2N+ and a molecular weight of 265.16 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium
PubChem CID4172203
Molecular FormulaC14H12Cl2N+
Molecular Weight265.16 g/mol
Exact Mass264.03
IUPAC Name2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium
SMILESC[n+]1ccccc1C=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N/c1-17-10-3-2-5-11(17)8-9-12-13(15)6-4-7-14(12)16/h2-10H,1H3/q+1
InChIKeyHILYGOLOXTXUTE-UHFFFAOYSA-N
XLogP3.99
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium iodide
CID 54612482
1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium
CID 51062057
2-[2-(2-chloro-5-nitrophenyl)ethenyl]-1-methylpyridin-1-ium
CID 4574790
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium
CID 10970233
4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide
CID 126960791
3-chloro-N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline
CID 89337069
N,N-dimethyl-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline
CID 102504283
1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide
CID 126960183
2-[(E)-2-[5-(2,4-dichlorophenyl)furan-2-yl]ethenyl]-1-methylpyridin-1-ium
CID 44567403
4-(1-methylpyridin-1-ium-2-yl)but-3-en-2-ol iodide
CID 659032
4-bromobenzenesulfonate;2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyridin-1-ium
CID 139077113
1-methyl-2-[(E)-2-[3-(2-phenylethynyl)phenyl]ethenyl]pyridin-1-ium iodide
CID 171669030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium?
The IUPAC name of 2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium (CID 4172203) is 2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium.
What is the SMILES notation for 2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium?
The canonical SMILES for 2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium is C[n+]1ccccc1C=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium?
The InChIKey is HILYGOLOXTXUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N/c1-17-10-3-2-5-11(17)8-9-12-13(15)6-4-7-14(12)16/h2-10H,1H3/q+1.
What are the key properties of 2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium?
2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium has a molecular weight of 265.16 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium is sourced from PubChem (CID 4172203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).