8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine

C11H6BrFN4O — CID 118103865

IUPAC8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cncc(Oc2cc(Br)c3ncnn3c2)c1
InChIInChI=1S/C11H6BrFN4O/c12-10-2-9(5-17-11(10)15-6-16-17)18-8-1-7(13)3-14-4-8/h1-6H
InChIKeyOUSMYAKFAGGALA-UHFFFAOYSA-N
MW309.10 g/mol
LogP2.82
Rot. Bonds2

About 8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine

8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 118103865) has the molecular formula C11H6BrFN4O and a molecular weight of 309.10 g/mol. Its IUPAC name is 8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID118103865
Molecular FormulaC11H6BrFN4O
Molecular Weight309.10 g/mol
Exact Mass307.97
IUPAC Name8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cncc(Oc2cc(Br)c3ncnn3c2)c1
InChIInChI=1S/C11H6BrFN4O/c12-10-2-9(5-17-11(10)15-6-16-17)18-8-1-7(13)3-14-4-8/h1-6H
InChIKeyOUSMYAKFAGGALA-UHFFFAOYSA-N
XLogP2.82
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine (CID 118103865) is 8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine is Fc1cncc(Oc2cc(Br)c3ncnn3c2)c1.
What is the InChIKey of 8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OUSMYAKFAGGALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN4O/c12-10-2-9(5-17-11(10)15-6-16-17)18-8-1-7(13)3-14-4-8/h1-6H.
What are the key properties of 8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine?
8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 309.10 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 118103865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).