4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium

C10H14FNO3 — CID 15166218

IUPAC4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium
SMILESCc1c(OCCOCF)cc[n+]([O-])c1C
InChIInChI=1S/C10H14FNO3/c1-8-9(2)12(13)4-3-10(8)15-6-5-14-7-11/h3-4H,5-7H2,1-2H3
InChIKeyOQRVLNLHTDVIME-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.26
Rot. Bonds5

About 4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium

4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium (PubChem CID 15166218) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium
PubChem CID15166218
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium
SMILESCc1c(OCCOCF)cc[n+]([O-])c1C
InChIInChI=1S/C10H14FNO3/c1-8-9(2)12(13)4-3-10(8)15-6-5-14-7-11/h3-4H,5-7H2,1-2H3
InChIKeyOQRVLNLHTDVIME-UHFFFAOYSA-N
XLogP1.26
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium?
The IUPAC name of 4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium (CID 15166218) is 4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium.
What is the SMILES notation for 4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium?
The canonical SMILES for 4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium is Cc1c(OCCOCF)cc[n+]([O-])c1C.
What is the InChIKey of 4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium?
The InChIKey is OQRVLNLHTDVIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-8-9(2)12(13)4-3-10(8)15-6-5-14-7-11/h3-4H,5-7H2,1-2H3.
What are the key properties of 4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium?
4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium has a molecular weight of 215.22 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(fluoromethoxy)ethoxy]-2,3-dimethyl-1-oxidopyridin-1-ium is sourced from PubChem (CID 15166218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).