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

C10H10BrN3O2 — CID 167877135

IUPAC3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1nc(-c2ncccc2Br)no1
InChIInChI=1S/C10H10BrN3O2/c1-15-6-4-8-13-10(14-16-8)9-7(11)3-2-5-12-9/h2-3,5H,4,6H2,1H3
InChIKeyWOHACGPLVKNYGQ-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.08
Rot. Bonds4

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

3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 167877135) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID167877135
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1nc(-c2ncccc2Br)no1
InChIInChI=1S/C10H10BrN3O2/c1-15-6-4-8-13-10(14-16-8)9-7(11)3-2-5-12-9/h2-3,5H,4,6H2,1H3
InChIKeyWOHACGPLVKNYGQ-UHFFFAOYSA-N
XLogP2.08
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole (CID 167877135) is 3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1nc(-c2ncccc2Br)no1.
What is the InChIKey of 3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is WOHACGPLVKNYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-15-6-4-8-13-10(14-16-8)9-7(11)3-2-5-12-9/h2-3,5H,4,6H2,1H3.
What are the key properties of 3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole?
3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 284.11 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167877135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).