2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol

C14H7BrFIN2O2 — CID 136886052

IUPAC2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
SMILESOc1ccc(I)cc1-c1nc(-c2cc(F)cc(Br)c2)no1
InChIInChI=1S/C14H7BrFIN2O2/c15-8-3-7(4-9(16)5-8)13-18-14(21-19-13)11-6-10(17)1-2-12(11)20/h1-6,20H
InChIKeyWYNFJLCEMWKPAE-UHFFFAOYSA-N
MW461.03 g/mol
LogP4.62
Rot. Bonds2

About 2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol

2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol (PubChem CID 136886052) has the molecular formula C14H7BrFIN2O2 and a molecular weight of 461.03 g/mol. Its IUPAC name is 2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol.

Molecular Properties

Compound Name2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
PubChem CID136886052
Molecular FormulaC14H7BrFIN2O2
Molecular Weight461.03 g/mol
Exact Mass459.87
IUPAC Name2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
SMILESOc1ccc(I)cc1-c1nc(-c2cc(F)cc(Br)c2)no1
InChIInChI=1S/C14H7BrFIN2O2/c15-8-3-7(4-9(16)5-8)13-18-14(21-19-13)11-6-10(17)1-2-12(11)20/h1-6,20H
InChIKeyWYNFJLCEMWKPAE-UHFFFAOYSA-N
XLogP4.62
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.03
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885782
4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751174
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011333
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886075
2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886099
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136885967
4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885977
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
5-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 66423613
4-[5-(2-amino-5-iodophenyl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888853
4-bromo-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885829

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
The IUPAC name of 2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol (CID 136886052) is 2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol.
What is the SMILES notation for 2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
The canonical SMILES for 2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol is Oc1ccc(I)cc1-c1nc(-c2cc(F)cc(Br)c2)no1.
What is the InChIKey of 2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
The InChIKey is WYNFJLCEMWKPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFIN2O2/c15-8-3-7(4-9(16)5-8)13-18-14(21-19-13)11-6-10(17)1-2-12(11)20/h1-6,20H.
What are the key properties of 2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol has a molecular weight of 461.03 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol is sourced from PubChem (CID 136886052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).