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

C10H10BrN3O2 — CID 81422735

IUPAC5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCc1nc(Cn2cc(Br)cc(C)c2=O)no1
InChIInChI=1S/C10H10BrN3O2/c1-6-3-8(11)4-14(10(6)15)5-9-12-7(2)16-13-9/h3-4H,5H2,1-2H3
InChIKeyPEMDRMITPFOYRI-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.66
Rot. Bonds2

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

5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one (PubChem CID 81422735) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
PubChem CID81422735
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCc1nc(Cn2cc(Br)cc(C)c2=O)no1
InChIInChI=1S/C10H10BrN3O2/c1-6-3-8(11)4-14(10(6)15)5-9-12-7(2)16-13-9/h3-4H,5H2,1-2H3
InChIKeyPEMDRMITPFOYRI-UHFFFAOYSA-N
XLogP1.66
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one (CID 81422735) is 5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one is Cc1nc(Cn2cc(Br)cc(C)c2=O)no1.
What is the InChIKey of 5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The InChIKey is PEMDRMITPFOYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-6-3-8(11)4-14(10(6)15)5-9-12-7(2)16-13-9/h3-4H,5H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one has a molecular weight of 284.11 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 81422735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).