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

C7H3BrIN3O — CID 114771628

IUPAC2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole
SMILESBrc1cncc(-c2nnc(I)o2)c1
InChIInChI=1S/C7H3BrIN3O/c8-5-1-4(2-10-3-5)6-11-12-7(9)13-6/h1-3H
InChIKeyNKBHNADNQCCWHC-UHFFFAOYSA-N
MW351.93 g/mol
LogP2.50
Rot. Bonds1

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

2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole (PubChem CID 114771628) has the molecular formula C7H3BrIN3O and a molecular weight of 351.93 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole
PubChem CID114771628
Molecular FormulaC7H3BrIN3O
Molecular Weight351.93 g/mol
Exact Mass350.85
IUPAC Name2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole
SMILESBrc1cncc(-c2nnc(I)o2)c1
InChIInChI=1S/C7H3BrIN3O/c8-5-1-4(2-10-3-5)6-11-12-7(9)13-6/h1-3H
InChIKeyNKBHNADNQCCWHC-UHFFFAOYSA-N
XLogP2.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.93
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 114771871
2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole
CID 46739504
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163737
2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole
CID 102332924
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162541
N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62138139
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 81437606
5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazole
CID 140992599
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55124213
2-(3-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771763
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
CID 107944229

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole (CID 114771628) is 2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole is Brc1cncc(-c2nnc(I)o2)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is NKBHNADNQCCWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrIN3O/c8-5-1-4(2-10-3-5)6-11-12-7(9)13-6/h1-3H.
What are the key properties of 2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole?
2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 351.93 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).