[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine

C9H7ClFN3O — CID 61324775

IUPAC[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C9H7ClFN3O/c10-5-2-1-3-6(11)8(5)9-13-7(4-12)14-15-9/h1-3H,4,12H2
InChIKeyUEXUCACIIKRTFJ-UHFFFAOYSA-N
MW227.63 g/mol
LogP1.99
Rot. Bonds2

About [5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61324775) has the molecular formula C9H7ClFN3O and a molecular weight of 227.63 g/mol. Its IUPAC name is [5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61324775
Molecular FormulaC9H7ClFN3O
Molecular Weight227.63 g/mol
Exact Mass227.03
IUPAC Name[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C9H7ClFN3O/c10-5-2-1-3-6(11)8(5)9-13-7(4-12)14-15-9/h1-3H,4,12H2
InChIKeyUEXUCACIIKRTFJ-UHFFFAOYSA-N
XLogP1.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61324775) is [5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2c(F)cccc2Cl)n1.
What is the InChIKey of [5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is UEXUCACIIKRTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O/c10-5-2-1-3-6(11)8(5)9-13-7(4-12)14-15-9/h1-3H,4,12H2.
What are the key properties of [5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 227.63 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61324775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).