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

C13H9FN5O+ — CID 123699095

IUPAC6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium
SMILESC[N+]#Cc1cc(Oc2cncc(F)c2)cn2ncnc12
InChIInChI=1S/C13H9FN5O/c1-15-4-9-2-12(7-19-13(9)17-8-18-19)20-11-3-10(14)5-16-6-11/h2-3,5-8H,1H3/q+1
InChIKeyWKZJJQRHVKFLEA-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.37
Rot. Bonds2

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

6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium (PubChem CID 123699095) has the molecular formula C13H9FN5O+ and a molecular weight of 270.25 g/mol. Its IUPAC name is 6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium.

Molecular Properties

Compound Name6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium
PubChem CID123699095
Molecular FormulaC13H9FN5O+
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium
SMILESC[N+]#Cc1cc(Oc2cncc(F)c2)cn2ncnc12
InChIInChI=1S/C13H9FN5O/c1-15-4-9-2-12(7-19-13(9)17-8-18-19)20-11-3-10(14)5-16-6-11/h2-3,5-8H,1H3/q+1
InChIKeyWKZJJQRHVKFLEA-UHFFFAOYSA-N
XLogP2.37
TPSA56.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium?
The IUPAC name of 6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium (CID 123699095) is 6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium.
What is the SMILES notation for 6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium?
The canonical SMILES for 6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium is C[N+]#Cc1cc(Oc2cncc(F)c2)cn2ncnc12.
What is the InChIKey of 6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium?
The InChIKey is WKZJJQRHVKFLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN5O/c1-15-4-9-2-12(7-19-13(9)17-8-18-19)20-11-3-10(14)5-16-6-11/h2-3,5-8H,1H3/q+1.
What are the key properties of 6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium?
6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium has a molecular weight of 270.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-3-pyridinyl)oxy]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrilium is sourced from PubChem (CID 123699095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).