1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide

C18H16IN — CID 11132467

IUPAC1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide
SMILESC[n+]1ccc(/C=C/c2cccc3ccccc23)cc1.[I-]
InChIInChI=1S/C18H16N.HI/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17;/h2-14H,1H3;1H/q+1;/p-1/b10-9+;
InChIKeyJWXOJSQIAOTKFF-RRABGKBLSA-M
MW373.24 g/mol
LogP0.84
Rot. Bonds2

About 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide

1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide (PubChem CID 11132467) has the molecular formula C18H16IN and a molecular weight of 373.24 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide
PubChem CID11132467
Molecular FormulaC18H16IN
Molecular Weight373.24 g/mol
Exact Mass373.03
IUPAC Name1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide
SMILESC[n+]1ccc(/C=C/c2cccc3ccccc23)cc1.[I-]
InChIInChI=1S/C18H16N.HI/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17;/h2-14H,1H3;1H/q+1;/p-1/b10-9+;
InChIKeyJWXOJSQIAOTKFF-RRABGKBLSA-M
XLogP0.84
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide?
The IUPAC name of 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide (CID 11132467) is 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide.
What is the SMILES notation for 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide?
The canonical SMILES for 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide is C[n+]1ccc(/C=C/c2cccc3ccccc23)cc1.[I-].
What is the InChIKey of 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide?
The InChIKey is JWXOJSQIAOTKFF-RRABGKBLSA-M. The full InChI is InChI=1S/C18H16N.HI/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17;/h2-14H,1H3;1H/q+1;/p-1/b10-9+;.
What are the key properties of 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide?
1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide has a molecular weight of 373.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium iodide is sourced from PubChem (CID 11132467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).