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

C17H9ClF2N4 — CID 90095665

IUPAC6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1ccc(Cl)cc1-c1ncccc1-c1cc(F)c2ncnn2c1
InChIInChI=1S/C17H9ClF2N4/c18-11-3-4-14(19)13(7-11)16-12(2-1-5-21-16)10-6-15(20)17-22-9-23-24(17)8-10/h1-9H
InChIKeyXPBPXWVBNOIXFW-UHFFFAOYSA-N
MW342.74 g/mol
LogP4.39
Rot. Bonds2

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

6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90095665) has the molecular formula C17H9ClF2N4 and a molecular weight of 342.74 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID90095665
Molecular FormulaC17H9ClF2N4
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1ccc(Cl)cc1-c1ncccc1-c1cc(F)c2ncnn2c1
InChIInChI=1S/C17H9ClF2N4/c18-11-3-4-14(19)13(7-11)16-12(2-1-5-21-16)10-6-15(20)17-22-9-23-24(17)8-10/h1-9H
InChIKeyXPBPXWVBNOIXFW-UHFFFAOYSA-N
XLogP4.39
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine (CID 90095665) is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine is Fc1ccc(Cl)cc1-c1ncccc1-c1cc(F)c2ncnn2c1.
What is the InChIKey of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XPBPXWVBNOIXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF2N4/c18-11-3-4-14(19)13(7-11)16-12(2-1-5-21-16)10-6-15(20)17-22-9-23-24(17)8-10/h1-9H.
What are the key properties of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 342.74 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90095665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).