5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine

C12H15BrFNO3 — CID 146172466

IUPAC5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine
SMILESFc1cc(Br)cnc1OCCOC1CCCCO1
InChIInChI=1S/C12H15BrFNO3/c13-9-7-10(14)12(15-8-9)18-6-5-17-11-3-1-2-4-16-11/h7-8,11H,1-6H2
InChIKeyHRTXGIMRECQIKV-UHFFFAOYSA-N
MW320.16 g/mol
LogP2.91
Rot. Bonds5

About 5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine

5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine (PubChem CID 146172466) has the molecular formula C12H15BrFNO3 and a molecular weight of 320.16 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine
PubChem CID146172466
Molecular FormulaC12H15BrFNO3
Molecular Weight320.16 g/mol
Exact Mass319.02
IUPAC Name5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine
SMILESFc1cc(Br)cnc1OCCOC1CCCCO1
InChIInChI=1S/C12H15BrFNO3/c13-9-7-10(14)12(15-8-9)18-6-5-17-11-3-1-2-4-16-11/h7-8,11H,1-6H2
InChIKeyHRTXGIMRECQIKV-UHFFFAOYSA-N
XLogP2.91
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine?
The IUPAC name of 5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine (CID 146172466) is 5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine.
What is the SMILES notation for 5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine?
The canonical SMILES for 5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine is Fc1cc(Br)cnc1OCCOC1CCCCO1.
What is the InChIKey of 5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine?
The InChIKey is HRTXGIMRECQIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3/c13-9-7-10(14)12(15-8-9)18-6-5-17-11-3-1-2-4-16-11/h7-8,11H,1-6H2.
What are the key properties of 5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine?
5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine has a molecular weight of 320.16 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-[2-(oxan-2-yloxy)ethoxy]pyridine is sourced from PubChem (CID 146172466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).