5-bromo-4-fluoro-2-propan-2-yloxypyridine

C8H9BrFNO — CID 167451222

IUPAC5-bromo-4-fluoro-2-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(F)c(Br)cn1
InChIInChI=1S/C8H9BrFNO/c1-5(2)12-8-3-7(10)6(9)4-11-8/h3-5H,1-2H3
InChIKeyDGGYTGOLBITXQG-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.77
Rot. Bonds2

About 5-bromo-4-fluoro-2-propan-2-yloxypyridine

5-bromo-4-fluoro-2-propan-2-yloxypyridine (PubChem CID 167451222) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-propan-2-yloxypyridine
PubChem CID167451222
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name5-bromo-4-fluoro-2-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(F)c(Br)cn1
InChIInChI=1S/C8H9BrFNO/c1-5(2)12-8-3-7(10)6(9)4-11-8/h3-5H,1-2H3
InChIKeyDGGYTGOLBITXQG-UHFFFAOYSA-N
XLogP2.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-propan-2-yloxypyridine?
The IUPAC name of 5-bromo-4-fluoro-2-propan-2-yloxypyridine (CID 167451222) is 5-bromo-4-fluoro-2-propan-2-yloxypyridine.
What is the SMILES notation for 5-bromo-4-fluoro-2-propan-2-yloxypyridine?
The canonical SMILES for 5-bromo-4-fluoro-2-propan-2-yloxypyridine is CC(C)Oc1cc(F)c(Br)cn1.
What is the InChIKey of 5-bromo-4-fluoro-2-propan-2-yloxypyridine?
The InChIKey is DGGYTGOLBITXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-5(2)12-8-3-7(10)6(9)4-11-8/h3-5H,1-2H3.
What are the key properties of 5-bromo-4-fluoro-2-propan-2-yloxypyridine?
5-bromo-4-fluoro-2-propan-2-yloxypyridine has a molecular weight of 234.07 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-propan-2-yloxypyridine is sourced from PubChem (CID 167451222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).