3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium

C14H18N2O+2 — CID 90886824

IUPAC3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium
SMILESCCc1cc(-[n+]2cccc(CC)c2)c[n+](O)c1
InChIInChI=1S/C14H18N2O/c1-3-12-6-5-7-15(9-12)14-8-13(4-2)10-16(17)11-14/h5-11,17H,3-4H2,1-2H3/q+2
InChIKeyWOQUYISDLPZOAI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.61
Rot. Bonds3

About 3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium

3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium (PubChem CID 90886824) has the molecular formula C14H18N2O+2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium.

Molecular Properties

Compound Name3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium
PubChem CID90886824
Molecular FormulaC14H18N2O+2
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium
SMILESCCc1cc(-[n+]2cccc(CC)c2)c[n+](O)c1
InChIInChI=1S/C14H18N2O/c1-3-12-6-5-7-15(9-12)14-8-13(4-2)10-16(17)11-14/h5-11,17H,3-4H2,1-2H3/q+2
InChIKeyWOQUYISDLPZOAI-UHFFFAOYSA-N
XLogP1.61
TPSA27.99 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 15047343
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ethylcyclodecapentaene
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1-butyl-3-ethylpyridin-1-ium
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CID 175583465
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ethylbenzene;molybdenum
CID 161189179
1-(3-propylphenyl)pyridin-1-ium
CID 54173380
CID 23624143
CID 23624143
2-[3-(3-ethylpyridin-1-ium-1-yl)-1H-quinoxalin-2-ylidene]propanedinitrile
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium?
The IUPAC name of 3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium (CID 90886824) is 3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium.
What is the SMILES notation for 3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium?
The canonical SMILES for 3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium is CCc1cc(-[n+]2cccc(CC)c2)c[n+](O)c1.
What is the InChIKey of 3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium?
The InChIKey is WOQUYISDLPZOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-12-6-5-7-15(9-12)14-8-13(4-2)10-16(17)11-14/h5-11,17H,3-4H2,1-2H3/q+2.
What are the key properties of 3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium?
3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium has a molecular weight of 230.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-ethylpyridin-1-ium-1-yl)-1-hydroxypyridin-1-ium is sourced from PubChem (CID 90886824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).