2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole

C8H3Br2IN2O — CID 107944229

IUPAC2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(I)o2)c(Br)c1
InChIInChI=1S/C8H3Br2IN2O/c9-4-1-2-5(6(10)3-4)7-12-13-8(11)14-7/h1-3H
InChIKeyWORQCTLCTSAKLD-UHFFFAOYSA-N
MW429.84 g/mol
LogP3.87
Rot. Bonds1

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

2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole (PubChem CID 107944229) has the molecular formula C8H3Br2IN2O and a molecular weight of 429.84 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
PubChem CID107944229
Molecular FormulaC8H3Br2IN2O
Molecular Weight429.84 g/mol
Exact Mass427.77
IUPAC Name2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(I)o2)c(Br)c1
InChIInChI=1S/C8H3Br2IN2O/c9-4-1-2-5(6(10)3-4)7-12-13-8(11)14-7/h1-3H
InChIKeyWORQCTLCTSAKLD-UHFFFAOYSA-N
XLogP3.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.84
LogP ≤ 53.87
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-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771767
5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107938667
2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771851
7-bromo-11-oxa-3,4-diazatricyclo[4.2.2.12,5]undeca-1(8),2,4,6,9-pentaene
CID 70522554
3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 107940450
2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole
CID 114771099
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 114771183
2-[2-bromo-5-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
CID 114771658
4-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114018570
2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole
CID 164653970
4-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 107940461
2-(3-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771763

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole (CID 107944229) is 2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole is Brc1ccc(-c2nnc(I)o2)c(Br)c1.
What is the InChIKey of 2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is WORQCTLCTSAKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2IN2O/c9-4-1-2-5(6(10)3-4)7-12-13-8(11)14-7/h1-3H.
What are the key properties of 2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole?
2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 429.84 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 107944229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).