3-ethyl-1-hydroxy-2-methylpyridin-1-ium

C8H12NO+ — CID 67236725

IUPAC3-ethyl-1-hydroxy-2-methylpyridin-1-ium
SMILESCCc1ccc[n+](O)c1C
InChIInChI=1S/C8H12NO/c1-3-8-5-4-6-9(10)7(8)2/h4-6,10H,3H2,1-2H3/q+1
InChIKeyLQGQURIRFSMVCD-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.08
Rot. Bonds1

About 3-ethyl-1-hydroxy-2-methylpyridin-1-ium

3-ethyl-1-hydroxy-2-methylpyridin-1-ium (PubChem CID 67236725) has the molecular formula C8H12NO+ and a molecular weight of 138.19 g/mol. Its IUPAC name is 3-ethyl-1-hydroxy-2-methylpyridin-1-ium.

Molecular Properties

Compound Name3-ethyl-1-hydroxy-2-methylpyridin-1-ium
PubChem CID67236725
Molecular FormulaC8H12NO+
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC Name3-ethyl-1-hydroxy-2-methylpyridin-1-ium
SMILESCCc1ccc[n+](O)c1C
InChIInChI=1S/C8H12NO/c1-3-8-5-4-6-9(10)7(8)2/h4-6,10H,3H2,1-2H3/q+1
InChIKeyLQGQURIRFSMVCD-UHFFFAOYSA-N
XLogP1.08
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.08
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 174973685
3-ethyl-1-hydroxy-4-methylpyridin-1-ium
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CID 89388803
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bis(2-ethylphenyl)-trihydroxy-λ5-phosphane
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bis(2,6-diethylphenol);1,4-xylene
CID 160641052
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
benzene;2-ethylphenol
CID 159726745
ethane;1-hydroxy-2-methylpyridin-1-ium
CID 144937215
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
(2-ethylphenyl)methylphosphonic acid
CID 70598773
acetic acid;1-ethyl-2-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hydroxy-2-methylpyridin-1-ium?
The IUPAC name of 3-ethyl-1-hydroxy-2-methylpyridin-1-ium (CID 67236725) is 3-ethyl-1-hydroxy-2-methylpyridin-1-ium.
What is the SMILES notation for 3-ethyl-1-hydroxy-2-methylpyridin-1-ium?
The canonical SMILES for 3-ethyl-1-hydroxy-2-methylpyridin-1-ium is CCc1ccc[n+](O)c1C.
What is the InChIKey of 3-ethyl-1-hydroxy-2-methylpyridin-1-ium?
The InChIKey is LQGQURIRFSMVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO/c1-3-8-5-4-6-9(10)7(8)2/h4-6,10H,3H2,1-2H3/q+1.
What are the key properties of 3-ethyl-1-hydroxy-2-methylpyridin-1-ium?
3-ethyl-1-hydroxy-2-methylpyridin-1-ium has a molecular weight of 138.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hydroxy-2-methylpyridin-1-ium is sourced from PubChem (CID 67236725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).