5-ethyl-1-methoxy-2-methylpyridin-1-ium

C9H14NO+ — CID 154349268

IUPAC5-ethyl-1-methoxy-2-methylpyridin-1-ium
SMILESCCc1ccc(C)[n+](OC)c1
InChIInChI=1S/C9H14NO/c1-4-9-6-5-8(2)10(7-9)11-3/h5-7H,4H2,1-3H3/q+1
InChIKeyJCZSCRSSRQGLEH-UHFFFAOYSA-N
MW152.22 g/mol
LogP0.90
Rot. Bonds2

About 5-ethyl-1-methoxy-2-methylpyridin-1-ium

5-ethyl-1-methoxy-2-methylpyridin-1-ium (PubChem CID 154349268) has the molecular formula C9H14NO+ and a molecular weight of 152.22 g/mol. Its IUPAC name is 5-ethyl-1-methoxy-2-methylpyridin-1-ium.

Molecular Properties

Compound Name5-ethyl-1-methoxy-2-methylpyridin-1-ium
PubChem CID154349268
Molecular FormulaC9H14NO+
Molecular Weight152.22 g/mol
Exact Mass152.11
IUPAC Name5-ethyl-1-methoxy-2-methylpyridin-1-ium
SMILESCCc1ccc(C)[n+](OC)c1
InChIInChI=1S/C9H14NO/c1-4-9-6-5-8(2)10(7-9)11-3/h5-7H,4H2,1-3H3/q+1
InChIKeyJCZSCRSSRQGLEH-UHFFFAOYSA-N
XLogP0.90
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methoxy-2-methylpyridin-1-ium?
The IUPAC name of 5-ethyl-1-methoxy-2-methylpyridin-1-ium (CID 154349268) is 5-ethyl-1-methoxy-2-methylpyridin-1-ium.
What is the SMILES notation for 5-ethyl-1-methoxy-2-methylpyridin-1-ium?
The canonical SMILES for 5-ethyl-1-methoxy-2-methylpyridin-1-ium is CCc1ccc(C)[n+](OC)c1.
What is the InChIKey of 5-ethyl-1-methoxy-2-methylpyridin-1-ium?
The InChIKey is JCZSCRSSRQGLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO/c1-4-9-6-5-8(2)10(7-9)11-3/h5-7H,4H2,1-3H3/q+1.
What are the key properties of 5-ethyl-1-methoxy-2-methylpyridin-1-ium?
5-ethyl-1-methoxy-2-methylpyridin-1-ium has a molecular weight of 152.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methoxy-2-methylpyridin-1-ium is sourced from PubChem (CID 154349268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).