1-ethylpyridin-1-ium;1-methylpyridin-1-ium

C13H18N2+2 — CID 160508395

IUPAC1-ethylpyridin-1-ium;1-methylpyridin-1-ium
SMILESCC[n+]1ccccc1.C[n+]1ccccc1
InChIInChI=1S/C7H10N.C6H8N/c1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7/h3-7H,2H2,1H3;2-6H,1H3/q2*+1
InChIKeyQSSJVFNIJSASRA-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds1

About 1-ethylpyridin-1-ium;1-methylpyridin-1-ium

1-ethylpyridin-1-ium;1-methylpyridin-1-ium (PubChem CID 160508395) has the molecular formula C13H18N2+2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-ethylpyridin-1-ium;1-methylpyridin-1-ium.

Molecular Properties

Compound Name1-ethylpyridin-1-ium;1-methylpyridin-1-ium
PubChem CID160508395
Molecular FormulaC13H18N2+2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-ethylpyridin-1-ium;1-methylpyridin-1-ium
SMILESCC[n+]1ccccc1.C[n+]1ccccc1
InChIInChI=1S/C7H10N.C6H8N/c1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7/h3-7H,2H2,1H3;2-6H,1H3/q2*+1
InChIKeyQSSJVFNIJSASRA-UHFFFAOYSA-N
XLogP1.51
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.51
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

tris(1-ethylpyridin-1-ium);tris(1-methylpyridin-1-ium)
CID 160797453
tris(1-ethylpyridin-1-ium);trichloride
CID 175102745
bis(1-ethylpyridin-1-ium);bromide;chloride
CID 70621329
cyanamide;1-ethylpyridin-1-ium
CID 118237262
2-methylpropane;1-methylpyridin-1-ium
CID 161367015
acetic acid;1-ethylpyridin-1-ium;formic acid
CID 175559177
1-methylpyridin-1-ium;oxozinc;iodide
CID 174764839
1-methylpyridin-1-ium;tetraiodoplumbane;iodide
CID 174902688
aniline;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium
CID 123908407
tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)
CID 23103331
1-methylpyridin-1-ium;sulfuric acid
CID 67146058
tris(1-ethylpyridin-1-ium);2-hydroxypropane-1,2,3-tricarboxylate
CID 131712651

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyridin-1-ium;1-methylpyridin-1-ium?
The IUPAC name of 1-ethylpyridin-1-ium;1-methylpyridin-1-ium (CID 160508395) is 1-ethylpyridin-1-ium;1-methylpyridin-1-ium.
What is the SMILES notation for 1-ethylpyridin-1-ium;1-methylpyridin-1-ium?
The canonical SMILES for 1-ethylpyridin-1-ium;1-methylpyridin-1-ium is CC[n+]1ccccc1.C[n+]1ccccc1.
What is the InChIKey of 1-ethylpyridin-1-ium;1-methylpyridin-1-ium?
The InChIKey is QSSJVFNIJSASRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.C6H8N/c1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7/h3-7H,2H2,1H3;2-6H,1H3/q2*+1.
What are the key properties of 1-ethylpyridin-1-ium;1-methylpyridin-1-ium?
1-ethylpyridin-1-ium;1-methylpyridin-1-ium has a molecular weight of 202.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyridin-1-ium;1-methylpyridin-1-ium is sourced from PubChem (CID 160508395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).