2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole

C8H6FN3O — CID 130639641

IUPAC2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccc(F)n2)o1
InChIInChI=1S/C8H6FN3O/c1-5-11-12-8(13-5)6-3-2-4-7(9)10-6/h2-4H,1H3
InChIKeyMOOVXCASGYEUEM-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.58
Rot. Bonds1

About 2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole

2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 130639641) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole
PubChem CID130639641
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccc(F)n2)o1
InChIInChI=1S/C8H6FN3O/c1-5-11-12-8(13-5)6-3-2-4-7(9)10-6/h2-4H,1H3
InChIKeyMOOVXCASGYEUEM-UHFFFAOYSA-N
XLogP1.58
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole (CID 130639641) is 2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cccc(F)n2)o1.
What is the InChIKey of 2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is MOOVXCASGYEUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c1-5-11-12-8(13-5)6-3-2-4-7(9)10-6/h2-4H,1H3.
What are the key properties of 2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole?
2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 179.15 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-pyridinyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 130639641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).