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

C8H6BrN3O — CID 67057241

IUPAC2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C8H6BrN3O/c1-5-11-12-8(13-5)6-2-7(9)4-10-3-6/h2-4H,1H3
InChIKeyQOWXQGKJEUSYGT-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.20
Rot. Bonds1

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

2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 67057241) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole
PubChem CID67057241
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C8H6BrN3O/c1-5-11-12-8(13-5)6-2-7(9)4-10-3-6/h2-4H,1H3
InChIKeyQOWXQGKJEUSYGT-UHFFFAOYSA-N
XLogP2.20
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
3-[5-(Prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4920344
2-[(4-Bromophenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 758305
2-(4-Bromophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 823507
1,3,4-Oxadiazole, 2-amino-5-(3-pyridyl)-
CID 21940
2,5-Bis(3-pyridyl)-1,3,4-oxadiazole
CID 98903
ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate
CID 155547250
3-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 740481
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 740477
3-(5-Cyclohexyl-[1,3,4]oxadiazol-2-yl)-pyridine
CID 647706
2-(Difluoromethyl)-5-(6-methylpyridin-3-yl)-1,3,4-oxadiazole
CID 126507413
1-[(5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one
CID 975383

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole (CID 67057241) is 2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cncc(Br)c2)o1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is QOWXQGKJEUSYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c1-5-11-12-8(13-5)6-2-7(9)4-10-3-6/h2-4H,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole?
2-(5-bromo-3-pyridinyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 240.06 g/mol, XLogP of 2.20, 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-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 67057241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).