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

C11H11FIN3O2 — CID 136529849

IUPAC5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCC(C)c1nnc(Cn2cc(F)cc(I)c2=O)o1
InChIInChI=1S/C11H11FIN3O2/c1-6(2)10-15-14-9(18-10)5-16-4-7(12)3-8(13)11(16)17/h3-4,6H,5H2,1-2H3
InChIKeyQMJUOWXWRBQVFS-UHFFFAOYSA-N
MW363.13 g/mol
LogP2.15
Rot. Bonds3

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

5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (PubChem CID 136529849) has the molecular formula C11H11FIN3O2 and a molecular weight of 363.13 g/mol. Its IUPAC name is 5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
PubChem CID136529849
Molecular FormulaC11H11FIN3O2
Molecular Weight363.13 g/mol
Exact Mass362.99
IUPAC Name5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCC(C)c1nnc(Cn2cc(F)cc(I)c2=O)o1
InChIInChI=1S/C11H11FIN3O2/c1-6(2)10-15-14-9(18-10)5-16-4-7(12)3-8(13)11(16)17/h3-4,6H,5H2,1-2H3
InChIKeyQMJUOWXWRBQVFS-UHFFFAOYSA-N
XLogP2.15
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one with MolForge

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Related Compounds

5-Iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 84590849
1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 39060063
1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 45811938
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]acetamide
CID 72907766
5-Fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 99831421
1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 133831534
5-Bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 60746497
5-Bromo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 83133220
3,5-Dibromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 104438617
3-Methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 104523618
5-Bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115282679
1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 115572985

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (CID 136529849) is 5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is CC(C)c1nnc(Cn2cc(F)cc(I)c2=O)o1.
What is the InChIKey of 5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is QMJUOWXWRBQVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FIN3O2/c1-6(2)10-15-14-9(18-10)5-16-4-7(12)3-8(13)11(16)17/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 363.13 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 136529849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).