3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine

C9H11BrFNO2 — CID 118262747

IUPAC3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine
SMILESFCCOCCOc1cncc(Br)c1
InChIInChI=1S/C9H11BrFNO2/c10-8-5-9(7-12-6-8)14-4-3-13-2-1-11/h5-7H,1-4H2
InChIKeyRILJDVVQURDUCY-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.21
Rot. Bonds6

About 3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine

3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine (PubChem CID 118262747) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine.

Molecular Properties

Compound Name3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine
PubChem CID118262747
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine
SMILESFCCOCCOc1cncc(Br)c1
InChIInChI=1S/C9H11BrFNO2/c10-8-5-9(7-12-6-8)14-4-3-13-2-1-11/h5-7H,1-4H2
InChIKeyRILJDVVQURDUCY-UHFFFAOYSA-N
XLogP2.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine?
The IUPAC name of 3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine (CID 118262747) is 3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine.
What is the SMILES notation for 3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine?
The canonical SMILES for 3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine is FCCOCCOc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine?
The InChIKey is RILJDVVQURDUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c10-8-5-9(7-12-6-8)14-4-3-13-2-1-11/h5-7H,1-4H2.
What are the key properties of 3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine?
3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine has a molecular weight of 264.09 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(2-fluoroethoxy)ethoxy]pyridine is sourced from PubChem (CID 118262747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).