3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine

C15H13BrFNO2 — CID 166487349

IUPAC3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine
SMILESFC1(c2cncc(COc3ccc(Br)cc3)c2)COC1
InChIInChI=1S/C15H13BrFNO2/c16-13-1-3-14(4-2-13)20-8-11-5-12(7-18-6-11)15(17)9-19-10-15/h1-7H,8-10H2
InChIKeyDRMVTHVJRYGAJY-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.62
Rot. Bonds4

About 3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine

3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine (PubChem CID 166487349) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine
PubChem CID166487349
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine
SMILESFC1(c2cncc(COc3ccc(Br)cc3)c2)COC1
InChIInChI=1S/C15H13BrFNO2/c16-13-1-3-14(4-2-13)20-8-11-5-12(7-18-6-11)15(17)9-19-10-15/h1-7H,8-10H2
InChIKeyDRMVTHVJRYGAJY-UHFFFAOYSA-N
XLogP3.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine?
The IUPAC name of 3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine (CID 166487349) is 3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine is FC1(c2cncc(COc3ccc(Br)cc3)c2)COC1.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine?
The InChIKey is DRMVTHVJRYGAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-13-1-3-14(4-2-13)20-8-11-5-12(7-18-6-11)15(17)9-19-10-15/h1-7H,8-10H2.
What are the key properties of 3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine?
3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine has a molecular weight of 338.18 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenoxy)methyl]-5-(3-fluorooxetan-3-yl)pyridine is sourced from PubChem (CID 166487349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).