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

C12H7ClFN3 — CID 117130734

IUPAC6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cccc(-c2nc3ccc(Cl)cn3n2)c1
InChIInChI=1S/C12H7ClFN3/c13-9-4-5-11-15-12(16-17(11)7-9)8-2-1-3-10(14)6-8/h1-7H
InChIKeyIDWFLPGESQYBRC-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.19
Rot. Bonds1

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

6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117130734) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117130734
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cccc(-c2nc3ccc(Cl)cn3n2)c1
InChIInChI=1S/C12H7ClFN3/c13-9-4-5-11-15-12(16-17(11)7-9)8-2-1-3-10(14)6-8/h1-7H
InChIKeyIDWFLPGESQYBRC-UHFFFAOYSA-N
XLogP3.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117130734) is 6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine is Fc1cccc(-c2nc3ccc(Cl)cn3n2)c1.
What is the InChIKey of 6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IDWFLPGESQYBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-9-4-5-11-15-12(16-17(11)7-9)8-2-1-3-10(14)6-8/h1-7H.
What are the key properties of 6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 247.66 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117130734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).