2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H9F2N3O2 — CID 62017706

IUPAC2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cn1nc2ccccn2c1=O)c1c(F)cccc1F
InChIInChI=1S/C14H9F2N3O2/c15-9-4-3-5-10(16)13(9)11(20)8-19-14(21)18-7-2-1-6-12(18)17-19/h1-7H,8H2
InChIKeyXHYINJJRFQNVJP-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.66
Rot. Bonds3

About 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62017706) has the molecular formula C14H9F2N3O2 and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62017706
Molecular FormulaC14H9F2N3O2
Molecular Weight289.24 g/mol
Exact Mass289.07
IUPAC Name2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cn1nc2ccccn2c1=O)c1c(F)cccc1F
InChIInChI=1S/C14H9F2N3O2/c15-9-4-3-5-10(16)13(9)11(20)8-19-14(21)18-7-2-1-6-12(18)17-19/h1-7H,8H2
InChIKeyXHYINJJRFQNVJP-UHFFFAOYSA-N
XLogP1.66
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62017706) is 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(Cn1nc2ccccn2c1=O)c1c(F)cccc1F.
What is the InChIKey of 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is XHYINJJRFQNVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2/c15-9-4-3-5-10(16)13(9)11(20)8-19-14(21)18-7-2-1-6-12(18)17-19/h1-7H,8H2.
What are the key properties of 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 289.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62017706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).