5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C13H8ClFN4O — CID 63259997

IUPAC5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cn1
InChIInChI=1S/C13H8ClFN4O/c14-9-5-7(1-3-10(9)15)12-18-13(20-19-12)8-2-4-11(16)17-6-8/h1-6H,(H2,16,17)
InChIKeyJGHCFVCABXQYDP-UHFFFAOYSA-N
MW290.69 g/mol
LogP3.17
Rot. Bonds2

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

5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 63259997) has the molecular formula C13H8ClFN4O and a molecular weight of 290.69 g/mol. Its IUPAC name is 5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID63259997
Molecular FormulaC13H8ClFN4O
Molecular Weight290.69 g/mol
Exact Mass290.04
IUPAC Name5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cn1
InChIInChI=1S/C13H8ClFN4O/c14-9-5-7(1-3-10(9)15)12-18-13(20-19-12)8-2-4-11(16)17-6-8/h1-6H,(H2,16,17)
InChIKeyJGHCFVCABXQYDP-UHFFFAOYSA-N
XLogP3.17
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 63259997) is 5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cn1.
What is the InChIKey of 5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is JGHCFVCABXQYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4O/c14-9-5-7(1-3-10(9)15)12-18-13(20-19-12)8-2-4-11(16)17-6-8/h1-6H,(H2,16,17).
What are the key properties of 5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 290.69 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 63259997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).