2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole

C8H2F2IN3O3 — CID 107123867

IUPAC2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cc(F)cc(-c2nnc(I)o2)c1F
InChIInChI=1S/C8H2F2IN3O3/c9-3-1-4(7-12-13-8(11)17-7)6(10)5(2-3)14(15)16/h1-2H
InChIKeyLRAMZFDYIDEIIH-UHFFFAOYSA-N
MW353.02 g/mol
LogP2.53
Rot. Bonds2

About 2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole

2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole (PubChem CID 107123867) has the molecular formula C8H2F2IN3O3 and a molecular weight of 353.02 g/mol. Its IUPAC name is 2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
PubChem CID107123867
Molecular FormulaC8H2F2IN3O3
Molecular Weight353.02 g/mol
Exact Mass352.91
IUPAC Name2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cc(F)cc(-c2nnc(I)o2)c1F
InChIInChI=1S/C8H2F2IN3O3/c9-3-1-4(7-12-13-8(11)17-7)6(10)5(2-3)14(15)16/h1-2H
InChIKeyLRAMZFDYIDEIIH-UHFFFAOYSA-N
XLogP2.53
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.02
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-difluoro-2-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771632
1-[5-(2,5-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 107122801
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771649
3-bromo-5-(2,5-difluoro-3-nitrophenyl)-1,2,4-oxadiazole
CID 107122764
5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 60875624
1-[5-(2,5-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107122762
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 107122508
2-(2-chloroethyl)-5-(2,5-difluoro-3-nitrophenyl)-1,3-oxazole
CID 107123771
(E)-3-[5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81258164
2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 119021216
N-[[5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137598

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole (CID 107123867) is 2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole is O=[N+]([O-])c1cc(F)cc(-c2nnc(I)o2)c1F.
What is the InChIKey of 2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is LRAMZFDYIDEIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F2IN3O3/c9-3-1-4(7-12-13-8(11)17-7)6(10)5(2-3)14(15)16/h1-2H.
What are the key properties of 2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole?
2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 353.02 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 107123867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).