5-bromo-2-(3-fluorooxetan-3-yl)pyridine

C8H7BrFNO — CID 86713182

IUPAC5-bromo-2-(3-fluorooxetan-3-yl)pyridine
SMILESFC1(c2ccc(Br)cn2)COC1
InChIInChI=1S/C8H7BrFNO/c9-6-1-2-7(11-3-6)8(10)4-12-5-8/h1-3H,4-5H2
InChIKeyVALCSXDSFWTTMX-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.04
Rot. Bonds1

About 5-bromo-2-(3-fluorooxetan-3-yl)pyridine

5-bromo-2-(3-fluorooxetan-3-yl)pyridine (PubChem CID 86713182) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 5-bromo-2-(3-fluorooxetan-3-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-fluorooxetan-3-yl)pyridine
PubChem CID86713182
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name5-bromo-2-(3-fluorooxetan-3-yl)pyridine
SMILESFC1(c2ccc(Br)cn2)COC1
InChIInChI=1S/C8H7BrFNO/c9-6-1-2-7(11-3-6)8(10)4-12-5-8/h1-3H,4-5H2
InChIKeyVALCSXDSFWTTMX-UHFFFAOYSA-N
XLogP2.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluorooxetan-3-yl)pyridine?
The IUPAC name of 5-bromo-2-(3-fluorooxetan-3-yl)pyridine (CID 86713182) is 5-bromo-2-(3-fluorooxetan-3-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-fluorooxetan-3-yl)pyridine?
The canonical SMILES for 5-bromo-2-(3-fluorooxetan-3-yl)pyridine is FC1(c2ccc(Br)cn2)COC1.
What is the InChIKey of 5-bromo-2-(3-fluorooxetan-3-yl)pyridine?
The InChIKey is VALCSXDSFWTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c9-6-1-2-7(11-3-6)8(10)4-12-5-8/h1-3H,4-5H2.
What are the key properties of 5-bromo-2-(3-fluorooxetan-3-yl)pyridine?
5-bromo-2-(3-fluorooxetan-3-yl)pyridine has a molecular weight of 232.05 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluorooxetan-3-yl)pyridine is sourced from PubChem (CID 86713182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).