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

C8H6BrN3O — CID 171373633

IUPAC2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cc(Br)cnc1-c1nnco1
InChIInChI=1S/C8H6BrN3O/c1-5-2-6(9)3-10-7(5)8-12-11-4-13-8/h2-4H,1H3
InChIKeyNSGSENBTTNWJCI-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.20
Rot. Bonds1

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

2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole (PubChem CID 171373633) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole
PubChem CID171373633
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cc(Br)cnc1-c1nnco1
InChIInChI=1S/C8H6BrN3O/c1-5-2-6(9)3-10-7(5)8-12-11-4-13-8/h2-4H,1H3
InChIKeyNSGSENBTTNWJCI-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole (CID 171373633) is 2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole is Cc1cc(Br)cnc1-c1nnco1.
What is the InChIKey of 2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is NSGSENBTTNWJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c1-5-2-6(9)3-10-7(5)8-12-11-4-13-8/h2-4H,1H3.
What are the key properties of 2-(5-bromo-3-methyl-2-pyridinyl)-1,3,4-oxadiazole?
2-(5-bromo-3-methyl-2-pyridinyl)-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-methyl-2-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 171373633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).