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

C9H6BrIN2O — CID 114771767

IUPAC2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(I)o2)c(Br)c1
InChIInChI=1S/C9H6BrIN2O/c1-5-2-3-6(7(10)4-5)8-12-13-9(11)14-8/h2-4H,1H3
InChIKeyVTSJOQUYOQQCLP-UHFFFAOYSA-N
MW364.97 g/mol
LogP3.41
Rot. Bonds1

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

2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole (PubChem CID 114771767) has the molecular formula C9H6BrIN2O and a molecular weight of 364.97 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
PubChem CID114771767
Molecular FormulaC9H6BrIN2O
Molecular Weight364.97 g/mol
Exact Mass363.87
IUPAC Name2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(I)o2)c(Br)c1
InChIInChI=1S/C9H6BrIN2O/c1-5-2-3-6(7(10)4-5)8-12-13-9(11)14-8/h2-4H,1H3
InChIKeyVTSJOQUYOQQCLP-UHFFFAOYSA-N
XLogP3.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.97
LogP ≤ 53.41
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-(3-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771763
2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole
CID 114770970
7-bromo-11-oxa-3,4-diazatricyclo[4.2.2.12,5]undeca-1(8),2,4,6,9-pentaene
CID 70522554
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
2-[2-bromo-5-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
CID 114771658
2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771851
2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530681
2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole
CID 164653970
5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107938667
1-[5-(2-bromo-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 81117716
2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 114770871

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole (CID 114771767) is 2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole is Cc1ccc(-c2nnc(I)o2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is VTSJOQUYOQQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrIN2O/c1-5-2-3-6(7(10)4-5)8-12-13-9(11)14-8/h2-4H,1H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole?
2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 364.97 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).