5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium

C10H14FNO3 — CID 122423815

IUPAC5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium
SMILESCc1ccc(OCCOCCF)c[n+]1[O-]
InChIInChI=1S/C10H14FNO3/c1-9-2-3-10(8-12(9)13)15-7-6-14-5-4-11/h2-3,8H,4-7H2,1H3
InChIKeyBBAUJIOKAIMWJS-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.99
Rot. Bonds6

About 5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium

5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium (PubChem CID 122423815) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium
PubChem CID122423815
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium
SMILESCc1ccc(OCCOCCF)c[n+]1[O-]
InChIInChI=1S/C10H14FNO3/c1-9-2-3-10(8-12(9)13)15-7-6-14-5-4-11/h2-3,8H,4-7H2,1H3
InChIKeyBBAUJIOKAIMWJS-UHFFFAOYSA-N
XLogP0.99
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.99
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 5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium?
The IUPAC name of 5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium (CID 122423815) is 5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium.
What is the SMILES notation for 5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium?
The canonical SMILES for 5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium is Cc1ccc(OCCOCCF)c[n+]1[O-].
What is the InChIKey of 5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium?
The InChIKey is BBAUJIOKAIMWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-9-2-3-10(8-12(9)13)15-7-6-14-5-4-11/h2-3,8H,4-7H2,1H3.
What are the key properties of 5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium?
5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium has a molecular weight of 215.22 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoroethoxy)ethoxy]-2-methyl-1-oxidopyridin-1-ium is sourced from PubChem (CID 122423815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).