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

C13H9ClFN3S — CID 2622700

IUPAC3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(Cl)c1CSc1nnc2ccccn12
InChIInChI=1S/C13H9ClFN3S/c14-10-4-3-5-11(15)9(10)8-19-13-17-16-12-6-1-2-7-18(12)13/h1-7H,8H2
InChIKeyGUDZEAGDEUWWJC-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.81
Rot. Bonds3

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

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 2622700) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID2622700
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(Cl)c1CSc1nnc2ccccn12
InChIInChI=1S/C13H9ClFN3S/c14-10-4-3-5-11(15)9(10)8-19-13-17-16-12-6-1-2-7-18(12)13/h1-7H,8H2
InChIKeyGUDZEAGDEUWWJC-UHFFFAOYSA-N
XLogP3.81
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 2622700) is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1cccc(Cl)c1CSc1nnc2ccccn12.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GUDZEAGDEUWWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c14-10-4-3-5-11(15)9(10)8-19-13-17-16-12-6-1-2-7-18(12)13/h1-7H,8H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 293.75 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 2622700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).