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

C13H9ClFN3S — CID 2084294

IUPAC3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(CSc2nnc3ccccn23)c(Cl)c1
InChIInChI=1S/C13H9ClFN3S/c14-11-7-10(15)5-4-9(11)8-19-13-17-16-12-3-1-2-6-18(12)13/h1-7H,8H2
InChIKeyFNGYJJGKCMXAOZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.81
Rot. Bonds3

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

3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 2084294) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID2084294
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(CSc2nnc3ccccn23)c(Cl)c1
InChIInChI=1S/C13H9ClFN3S/c14-11-7-10(15)5-4-9(11)8-19-13-17-16-12-3-1-2-6-18(12)13/h1-7H,8H2
InChIKeyFNGYJJGKCMXAOZ-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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Related Compounds

3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
4-(4-Ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 931757
4-(5-((4-Fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-YL)pyridine
CID 937714
6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665851
4-(4-Ethyl-5-((2-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 933155
3-(4-Ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 933308
4-{5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine
CID 936160
3-(4-Fluoro-benzylsulfanyl)-5-pyridin-4-yl-[1,2,4]triazol-4-ylamine
CID 937215
4-({[1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl}methyl)benzonitrile
CID 2461523
3-[(3-Fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532081
3-[(4-Fluorophenyl)methylthio]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532083
4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]pyridine
CID 664949

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 2084294) is 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc(CSc2nnc3ccccn23)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FNGYJJGKCMXAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c14-11-7-10(15)5-4-9(11)8-19-13-17-16-12-3-1-2-6-18(12)13/h1-7H,8H2.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2-chloro-4-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-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 2084294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).