2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine

C14H12BrFN2O — CID 86685247

IUPAC2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine
SMILESFc1ccc(OC2CN(c3cccc(Br)n3)C2)cc1
InChIInChI=1S/C14H12BrFN2O/c15-13-2-1-3-14(17-13)18-8-12(9-18)19-11-6-4-10(16)5-7-11/h1-7,12H,8-9H2
InChIKeyOJPLMXUKQONFFO-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.25
Rot. Bonds3

About 2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine

2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine (PubChem CID 86685247) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine
PubChem CID86685247
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine
SMILESFc1ccc(OC2CN(c3cccc(Br)n3)C2)cc1
InChIInChI=1S/C14H12BrFN2O/c15-13-2-1-3-14(17-13)18-8-12(9-18)19-11-6-4-10(16)5-7-11/h1-7,12H,8-9H2
InChIKeyOJPLMXUKQONFFO-UHFFFAOYSA-N
XLogP3.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine?
The IUPAC name of 2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine (CID 86685247) is 2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine.
What is the SMILES notation for 2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine?
The canonical SMILES for 2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine is Fc1ccc(OC2CN(c3cccc(Br)n3)C2)cc1.
What is the InChIKey of 2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine?
The InChIKey is OJPLMXUKQONFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-13-2-1-3-14(17-13)18-8-12(9-18)19-11-6-4-10(16)5-7-11/h1-7,12H,8-9H2.
What are the key properties of 2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine?
2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine has a molecular weight of 323.17 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine is sourced from PubChem (CID 86685247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).