5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one

C8H6BrN3O2 — CID 60701005

IUPAC5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ncon1
InChIInChI=1S/C8H6BrN3O2/c9-6-1-2-8(13)12(3-6)4-7-10-5-14-11-7/h1-3,5H,4H2
InChIKeyVTBHWNQUMFSQGD-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.04
Rot. Bonds2

About 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one

5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one (PubChem CID 60701005) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one
PubChem CID60701005
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ncon1
InChIInChI=1S/C8H6BrN3O2/c9-6-1-2-8(13)12(3-6)4-7-10-5-14-11-7/h1-3,5H,4H2
InChIKeyVTBHWNQUMFSQGD-UHFFFAOYSA-N
XLogP1.04
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one (CID 60701005) is 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one is O=c1ccc(Br)cn1Cc1ncon1.
What is the InChIKey of 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one?
The InChIKey is VTBHWNQUMFSQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-6-1-2-8(13)12(3-6)4-7-10-5-14-11-7/h1-3,5H,4H2.
What are the key properties of 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one?
5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one has a molecular weight of 256.06 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 60701005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).