1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone

C14H10FN3OS — CID 60678710

IUPAC1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1Sc1nnc2ccccn12
InChIInChI=1S/C14H10FN3OS/c1-9(19)11-8-10(15)5-6-12(11)20-14-17-16-13-4-2-3-7-18(13)14/h2-8H,1H3
InChIKeyVYYLISMPVUJJQJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.22
Rot. Bonds3

About 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone

1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone (PubChem CID 60678710) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
PubChem CID60678710
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC Name1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1Sc1nnc2ccccn12
InChIInChI=1S/C14H10FN3OS/c1-9(19)11-8-10(15)5-6-12(11)20-14-17-16-13-4-2-3-7-18(13)14/h2-8H,1H3
InChIKeyVYYLISMPVUJJQJ-UHFFFAOYSA-N
XLogP3.22
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
CID 55023570
1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63808629
2-amino-3-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
CID 83207534
(1R)-1-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63371478
methyl 3-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoate
CID 62850719
3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzaldehyde
CID 63803060
(2R)-1-(3,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
CID 2465010
N-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methyl]ethanamine
CID 63807416
1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone
CID 115280290
1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanone
CID 60726430
[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine
CID 107931468
(2R)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888908

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone (CID 60678710) is 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone is CC(=O)c1cc(F)ccc1Sc1nnc2ccccn12.
What is the InChIKey of 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone?
The InChIKey is VYYLISMPVUJJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c1-9(19)11-8-10(15)5-6-12(11)20-14-17-16-13-4-2-3-7-18(13)14/h2-8H,1H3.
What are the key properties of 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone?
1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone has a molecular weight of 287.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 60678710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).