2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole

C8H3BrFIN2O — CID 114771851

IUPAC2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
SMILESFc1ccc(Br)cc1-c1nnc(I)o1
InChIInChI=1S/C8H3BrFIN2O/c9-4-1-2-6(10)5(3-4)7-12-13-8(11)14-7/h1-3H
InChIKeyOYCIWBVFIMFGNX-UHFFFAOYSA-N
MW368.93 g/mol
LogP3.24
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole

2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole (PubChem CID 114771851) has the molecular formula C8H3BrFIN2O and a molecular weight of 368.93 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
PubChem CID114771851
Molecular FormulaC8H3BrFIN2O
Molecular Weight368.93 g/mol
Exact Mass367.85
IUPAC Name2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
SMILESFc1ccc(Br)cc1-c1nnc(I)o1
InChIInChI=1S/C8H3BrFIN2O/c9-4-1-2-6(10)5(3-4)7-12-13-8(11)14-7/h1-3H
InChIKeyOYCIWBVFIMFGNX-UHFFFAOYSA-N
XLogP3.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
CID 107944229
2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
CID 62076840
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 114771183
4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole
CID 102974675
4-[5-(5-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54930125
1-[5-(5-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857466
2-[2-bromo-5-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
CID 114771658
2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771767
2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 69068751
4-bromo-1-fluoro-2-iodobenzene
CID 2782750
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 155569508

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole (CID 114771851) is 2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole is Fc1ccc(Br)cc1-c1nnc(I)o1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is OYCIWBVFIMFGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFIN2O/c9-4-1-2-6(10)5(3-4)7-12-13-8(11)14-7/h1-3H.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole?
2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 368.93 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).