4-ethyl-1,3-dimethylpyridin-1-ium

C9H14N+ — CID 58961191

IUPAC4-ethyl-1,3-dimethylpyridin-1-ium
SMILESCCc1cc[n+](C)cc1C
InChIInChI=1S/C9H14N/c1-4-9-5-6-10(3)7-8(9)2/h5-7H,4H2,1-3H3/q+1
InChIKeyFWLSOIKPMDDBIR-UHFFFAOYSA-N
MW136.22 g/mol
LogP1.38
Rot. Bonds1

About 4-ethyl-1,3-dimethylpyridin-1-ium

4-ethyl-1,3-dimethylpyridin-1-ium (PubChem CID 58961191) has the molecular formula C9H14N+ and a molecular weight of 136.22 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethylpyridin-1-ium.

Molecular Properties

Compound Name4-ethyl-1,3-dimethylpyridin-1-ium
PubChem CID58961191
Molecular FormulaC9H14N+
Molecular Weight136.22 g/mol
Exact Mass136.11
IUPAC Name4-ethyl-1,3-dimethylpyridin-1-ium
SMILESCCc1cc[n+](C)cc1C
InChIInChI=1S/C9H14N/c1-4-9-5-6-10(3)7-8(9)2/h5-7H,4H2,1-3H3/q+1
InChIKeyFWLSOIKPMDDBIR-UHFFFAOYSA-N
XLogP1.38
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethylpyridin-1-ium?
The IUPAC name of 4-ethyl-1,3-dimethylpyridin-1-ium (CID 58961191) is 4-ethyl-1,3-dimethylpyridin-1-ium.
What is the SMILES notation for 4-ethyl-1,3-dimethylpyridin-1-ium?
The canonical SMILES for 4-ethyl-1,3-dimethylpyridin-1-ium is CCc1cc[n+](C)cc1C.
What is the InChIKey of 4-ethyl-1,3-dimethylpyridin-1-ium?
The InChIKey is FWLSOIKPMDDBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N/c1-4-9-5-6-10(3)7-8(9)2/h5-7H,4H2,1-3H3/q+1.
What are the key properties of 4-ethyl-1,3-dimethylpyridin-1-ium?
4-ethyl-1,3-dimethylpyridin-1-ium has a molecular weight of 136.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethylpyridin-1-ium is sourced from PubChem (CID 58961191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).