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

C8H6IN3O — CID 114771871

IUPAC2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cncc(-c2nnc(I)o2)c1
InChIInChI=1S/C8H6IN3O/c1-5-2-6(4-10-3-5)7-11-12-8(9)13-7/h2-4H,1H3
InChIKeyZWJCEZYYJKTYPA-UHFFFAOYSA-N
MW287.06 g/mol
LogP2.04
Rot. Bonds1

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

2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 114771871) has the molecular formula C8H6IN3O and a molecular weight of 287.06 g/mol. Its IUPAC name is 2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID114771871
Molecular FormulaC8H6IN3O
Molecular Weight287.06 g/mol
Exact Mass286.96
IUPAC Name2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cncc(-c2nnc(I)o2)c1
InChIInChI=1S/C8H6IN3O/c1-5-2-6(4-10-3-5)7-11-12-8(9)13-7/h2-4H,1H3
InChIKeyZWJCEZYYJKTYPA-UHFFFAOYSA-N
XLogP2.04
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole (CID 114771871) is 2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole is Cc1cncc(-c2nnc(I)o2)c1.
What is the InChIKey of 2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is ZWJCEZYYJKTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3O/c1-5-2-6(4-10-3-5)7-11-12-8(9)13-7/h2-4H,1H3.
What are the key properties of 2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole?
2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 287.06 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).