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

C8H6FN3O — CID 138517367

IUPAC2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnco2)nc1
InChIInChI=1S/C8H6FN3O/c9-6-1-2-7(10-4-6)3-8-12-11-5-13-8/h1-2,4-5H,3H2
InChIKeyABCXAICXNRAVOK-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.19
Rot. Bonds2

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

2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole (PubChem CID 138517367) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole
PubChem CID138517367
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnco2)nc1
InChIInChI=1S/C8H6FN3O/c9-6-1-2-7(10-4-6)3-8-12-11-5-13-8/h1-2,4-5H,3H2
InChIKeyABCXAICXNRAVOK-UHFFFAOYSA-N
XLogP1.19
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole (CID 138517367) is 2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole is Fc1ccc(Cc2nnco2)nc1.
What is the InChIKey of 2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole?
The InChIKey is ABCXAICXNRAVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-6-1-2-7(10-4-6)3-8-12-11-5-13-8/h1-2,4-5H,3H2.
What are the key properties of 2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole?
2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole has a molecular weight of 179.15 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-pyridinyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 138517367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).