4-ethyl-3H-pyridin-1-ium

C7H10N+ — CID 57069591

IUPAC4-ethyl-3H-pyridin-1-ium
SMILESCCC1=CC=[N+]=CC1
InChIInChI=1S/C7H10N/c1-2-7-3-5-8-6-4-7/h3,5-6H,2,4H2,1H3/q+1
InChIKeyLKGXYNCRJCDANL-UHFFFAOYSA-N
MW108.16 g/mol
LogP0.94
Rot. Bonds1

About 4-ethyl-3H-pyridin-1-ium

4-ethyl-3H-pyridin-1-ium (PubChem CID 57069591) has the molecular formula C7H10N+ and a molecular weight of 108.16 g/mol. Its IUPAC name is 4-ethyl-3H-pyridin-1-ium.

Molecular Properties

Compound Name4-ethyl-3H-pyridin-1-ium
PubChem CID57069591
Molecular FormulaC7H10N+
Molecular Weight108.16 g/mol
Exact Mass108.08
IUPAC Name4-ethyl-3H-pyridin-1-ium
SMILESCCC1=CC=[N+]=CC1
InChIInChI=1S/C7H10N/c1-2-7-3-5-8-6-4-7/h3,5-6H,2,4H2,1H3/q+1
InChIKeyLKGXYNCRJCDANL-UHFFFAOYSA-N
XLogP0.94
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
3-Methanidylidenepyridin-1-ium
CID 59909632
3,3-Dimethylpyridine
CID 129722078
4-(2-fluoroethyl)-3H-pyridin-1-ium
CID 57261287
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
(Z)-2-fluoro-N,4-dimethylhex-4-en-1-imine
CID 129299980
(3S)-4-ethyl-3-fluoro-2,3-dihydropyridine
CID 134404676
3-fluoro-3-methyl-2H-pyridine
CID 153958627
(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
CID 155454769
5-Ethyl-2-fluoro-2,3-dihydropyridine
CID 169872706

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3H-pyridin-1-ium?
The IUPAC name of 4-ethyl-3H-pyridin-1-ium (CID 57069591) is 4-ethyl-3H-pyridin-1-ium.
What is the SMILES notation for 4-ethyl-3H-pyridin-1-ium?
The canonical SMILES for 4-ethyl-3H-pyridin-1-ium is CCC1=CC=[N+]=CC1.
What is the InChIKey of 4-ethyl-3H-pyridin-1-ium?
The InChIKey is LKGXYNCRJCDANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N/c1-2-7-3-5-8-6-4-7/h3,5-6H,2,4H2,1H3/q+1.
What are the key properties of 4-ethyl-3H-pyridin-1-ium?
4-ethyl-3H-pyridin-1-ium has a molecular weight of 108.16 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3H-pyridin-1-ium is sourced from PubChem (CID 57069591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).