3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C13H8F2N4O — CID 97058186

IUPAC3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc(-c2c(F)cccc2F)no1
InChIInChI=1S/C13H8F2N4O/c14-8-4-1-5-9(15)10(8)12-18-13(20-19-12)7-3-2-6-17-11(7)16/h1-6H,(H2,16,17)
InChIKeyNOSKDALMKSFKRE-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.66
Rot. Bonds2

About 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 97058186) has the molecular formula C13H8F2N4O and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID97058186
Molecular FormulaC13H8F2N4O
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Name3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc(-c2c(F)cccc2F)no1
InChIInChI=1S/C13H8F2N4O/c14-8-4-1-5-9(15)10(8)12-18-13(20-19-12)7-3-2-6-17-11(7)16/h1-6H,(H2,16,17)
InChIKeyNOSKDALMKSFKRE-UHFFFAOYSA-N
XLogP2.66
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 97058186) is 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1nc(-c2c(F)cccc2F)no1.
What is the InChIKey of 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is NOSKDALMKSFKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O/c14-8-4-1-5-9(15)10(8)12-18-13(20-19-12)7-3-2-6-17-11(7)16/h1-6H,(H2,16,17).
What are the key properties of 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 274.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 97058186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).