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

C14H12FN3OS — CID 86686191

IUPAC2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol
SMILESOCCSc1ccccc1-c1nnc2ccc(F)cn12
InChIInChI=1S/C14H12FN3OS/c15-10-5-6-13-16-17-14(18(13)9-10)11-3-1-2-4-12(11)20-8-7-19/h1-6,9,19H,7-8H2
InChIKeyIZLFQMGLOTVDMB-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.62
Rot. Bonds4

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

2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol (PubChem CID 86686191) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol
PubChem CID86686191
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol
SMILESOCCSc1ccccc1-c1nnc2ccc(F)cn12
InChIInChI=1S/C14H12FN3OS/c15-10-5-6-13-16-17-14(18(13)9-10)11-3-1-2-4-12(11)20-8-7-19/h1-6,9,19H,7-8H2
InChIKeyIZLFQMGLOTVDMB-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol?
The IUPAC name of 2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol (CID 86686191) is 2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol.
What is the SMILES notation for 2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol?
The canonical SMILES for 2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol is OCCSc1ccccc1-c1nnc2ccc(F)cn12.
What is the InChIKey of 2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol?
The InChIKey is IZLFQMGLOTVDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-10-5-6-13-16-17-14(18(13)9-10)11-3-1-2-4-12(11)20-8-7-19/h1-6,9,19H,7-8H2.
What are the key properties of 2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol?
2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol has a molecular weight of 289.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]sulfanylethanol is sourced from PubChem (CID 86686191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).