3-bromo-5-(4-fluorooxan-4-yl)pyridine

C10H11BrFNO — CID 121282571

IUPAC3-bromo-5-(4-fluorooxan-4-yl)pyridine
SMILESFC1(c2cncc(Br)c2)CCOCC1
InChIInChI=1S/C10H11BrFNO/c11-9-5-8(6-13-7-9)10(12)1-3-14-4-2-10/h5-7H,1-4H2
InChIKeyLEQDBJVFYDLMTK-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.82
Rot. Bonds1

About 3-bromo-5-(4-fluorooxan-4-yl)pyridine

3-bromo-5-(4-fluorooxan-4-yl)pyridine (PubChem CID 121282571) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 3-bromo-5-(4-fluorooxan-4-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(4-fluorooxan-4-yl)pyridine
PubChem CID121282571
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name3-bromo-5-(4-fluorooxan-4-yl)pyridine
SMILESFC1(c2cncc(Br)c2)CCOCC1
InChIInChI=1S/C10H11BrFNO/c11-9-5-8(6-13-7-9)10(12)1-3-14-4-2-10/h5-7H,1-4H2
InChIKeyLEQDBJVFYDLMTK-UHFFFAOYSA-N
XLogP2.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-fluorooxan-4-yl)pyridine?
The IUPAC name of 3-bromo-5-(4-fluorooxan-4-yl)pyridine (CID 121282571) is 3-bromo-5-(4-fluorooxan-4-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(4-fluorooxan-4-yl)pyridine?
The canonical SMILES for 3-bromo-5-(4-fluorooxan-4-yl)pyridine is FC1(c2cncc(Br)c2)CCOCC1.
What is the InChIKey of 3-bromo-5-(4-fluorooxan-4-yl)pyridine?
The InChIKey is LEQDBJVFYDLMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-9-5-8(6-13-7-9)10(12)1-3-14-4-2-10/h5-7H,1-4H2.
What are the key properties of 3-bromo-5-(4-fluorooxan-4-yl)pyridine?
3-bromo-5-(4-fluorooxan-4-yl)pyridine has a molecular weight of 260.11 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-fluorooxan-4-yl)pyridine is sourced from PubChem (CID 121282571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).