5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one

C9H8BrN3O2 — CID 60627666

IUPAC5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCc1nnc(Cn2cc(Br)ccc2=O)o1
InChIInChI=1S/C9H8BrN3O2/c1-6-11-12-8(15-6)5-13-4-7(10)2-3-9(13)14/h2-4H,5H2,1H3
InChIKeyQDGYBZMQEPXROH-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.35
Rot. Bonds2

About 5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one

5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (PubChem CID 60627666) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
PubChem CID60627666
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCc1nnc(Cn2cc(Br)ccc2=O)o1
InChIInChI=1S/C9H8BrN3O2/c1-6-11-12-8(15-6)5-13-4-7(10)2-3-9(13)14/h2-4H,5H2,1H3
InChIKeyQDGYBZMQEPXROH-UHFFFAOYSA-N
XLogP1.35
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (CID 60627666) is 5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is Cc1nnc(Cn2cc(Br)ccc2=O)o1.
What is the InChIKey of 5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is QDGYBZMQEPXROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-6-11-12-8(15-6)5-13-4-7(10)2-3-9(13)14/h2-4H,5H2,1H3.
What are the key properties of 5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 270.09 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 60627666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).