2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole

C9H8ClN3O2 — CID 58997474

IUPAC2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2ccc(Cl)nc2)o1
InChIInChI=1S/C9H8ClN3O2/c1-14-5-8-12-13-9(15-8)6-2-3-7(10)11-4-6/h2-4H,5H2,1H3
InChIKeyFDBOKANKJOZUOP-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.93
Rot. Bonds3

About 2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole

2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole (PubChem CID 58997474) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole
PubChem CID58997474
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2ccc(Cl)nc2)o1
InChIInChI=1S/C9H8ClN3O2/c1-14-5-8-12-13-9(15-8)6-2-3-7(10)11-4-6/h2-4H,5H2,1H3
InChIKeyFDBOKANKJOZUOP-UHFFFAOYSA-N
XLogP1.93
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole (CID 58997474) is 2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole is COCc1nnc(-c2ccc(Cl)nc2)o1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole?
The InChIKey is FDBOKANKJOZUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-14-5-8-12-13-9(15-8)6-2-3-7(10)11-4-6/h2-4H,5H2,1H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole?
2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole has a molecular weight of 225.64 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 58997474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).