1-(4-ethylphenyl)pyridin-1-ium

C13H14N+ — CID 15047343

IUPAC1-(4-ethylphenyl)pyridin-1-ium
SMILESCCc1ccc(-[n+]2ccccc2)cc1
InChIInChI=1S/C13H14N/c1-2-12-6-8-13(9-7-12)14-10-4-3-5-11-14/h3-11H,2H2,1H3/q+1
InChIKeyLLZZBZAHFQQMGK-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.53
Rot. Bonds2

About 1-(4-ethylphenyl)pyridin-1-ium

1-(4-ethylphenyl)pyridin-1-ium (PubChem CID 15047343) has the molecular formula C13H14N+ and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(4-ethylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(4-ethylphenyl)pyridin-1-ium
PubChem CID15047343
Molecular FormulaC13H14N+
Molecular Weight184.26 g/mol
Exact Mass184.11
IUPAC Name1-(4-ethylphenyl)pyridin-1-ium
SMILESCCc1ccc(-[n+]2ccccc2)cc1
InChIInChI=1S/C13H14N/c1-2-12-6-8-13(9-7-12)14-10-4-3-5-11-14/h3-11H,2H2,1H3/q+1
InChIKeyLLZZBZAHFQQMGK-UHFFFAOYSA-N
XLogP2.53
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.53
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

(4-pyridin-1-ium-1-ylphenyl)methanamine
CID 54776304
(4-pyridin-1-ium-1-ylphenyl)methanamine;chloride;hydrochloride
CID 169432918
ethylcyclodecapentaene
CID 90861705
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-(4-methoxyphenyl)pyridin-1-ium;dihydrochloride
CID 175485719
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
1-(3-propylphenyl)pyridin-1-ium
CID 54173380
1,4-diethylbenzene;ethane;methane
CID 166131756
ethane;ethylbenzene;propane
CID 91199618

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)pyridin-1-ium?
The IUPAC name of 1-(4-ethylphenyl)pyridin-1-ium (CID 15047343) is 1-(4-ethylphenyl)pyridin-1-ium.
What is the SMILES notation for 1-(4-ethylphenyl)pyridin-1-ium?
The canonical SMILES for 1-(4-ethylphenyl)pyridin-1-ium is CCc1ccc(-[n+]2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)pyridin-1-ium?
The InChIKey is LLZZBZAHFQQMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N/c1-2-12-6-8-13(9-7-12)14-10-4-3-5-11-14/h3-11H,2H2,1H3/q+1.
What are the key properties of 1-(4-ethylphenyl)pyridin-1-ium?
1-(4-ethylphenyl)pyridin-1-ium has a molecular weight of 184.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)pyridin-1-ium is sourced from PubChem (CID 15047343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).