2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol

C14H12FN3OS — CID 141440372

IUPAC2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol
SMILESOC(Cc1nnc2ccc(F)cn12)Sc1ccccc1
InChIInChI=1S/C14H12FN3OS/c15-10-6-7-12-16-17-13(18(12)9-10)8-14(19)20-11-4-2-1-3-5-11/h1-7,9,14,19H,8H2
InChIKeyJIRTZMOIUPEIGI-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.52
Rot. Bonds4

About 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol

2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol (PubChem CID 141440372) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol.

Molecular Properties

Compound Name2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol
PubChem CID141440372
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol
SMILESOC(Cc1nnc2ccc(F)cn12)Sc1ccccc1
InChIInChI=1S/C14H12FN3OS/c15-10-6-7-12-16-17-13(18(12)9-10)8-14(19)20-11-4-2-1-3-5-11/h1-7,9,14,19H,8H2
InChIKeyJIRTZMOIUPEIGI-UHFFFAOYSA-N
XLogP2.52
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol?
The IUPAC name of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol (CID 141440372) is 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol.
What is the SMILES notation for 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol?
The canonical SMILES for 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol is OC(Cc1nnc2ccc(F)cn12)Sc1ccccc1.
What is the InChIKey of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol?
The InChIKey is JIRTZMOIUPEIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-10-6-7-12-16-17-13(18(12)9-10)8-14(19)20-11-4-2-1-3-5-11/h1-7,9,14,19H,8H2.
What are the key properties of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol?
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol has a molecular weight of 289.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-phenylsulfanylethanol is sourced from PubChem (CID 141440372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).