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

C10H10ClN3O3 — CID 58997442

IUPAC2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2cnc(Cl)cc2OC)o1
InChIInChI=1S/C10H10ClN3O3/c1-15-5-9-13-14-10(17-9)6-4-12-8(11)3-7(6)16-2/h3-4H,5H2,1-2H3
InChIKeyPXAUBHBSCAEJRK-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.94
Rot. Bonds4

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

2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole (PubChem CID 58997442) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole
PubChem CID58997442
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2cnc(Cl)cc2OC)o1
InChIInChI=1S/C10H10ClN3O3/c1-15-5-9-13-14-10(17-9)6-4-12-8(11)3-7(6)16-2/h3-4H,5H2,1-2H3
InChIKeyPXAUBHBSCAEJRK-UHFFFAOYSA-N
XLogP1.94
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole (CID 58997442) is 2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole is COCc1nnc(-c2cnc(Cl)cc2OC)o1.
What is the InChIKey of 2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole?
The InChIKey is PXAUBHBSCAEJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c1-15-5-9-13-14-10(17-9)6-4-12-8(11)3-7(6)16-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole?
2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole has a molecular weight of 255.66 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methoxy-3-pyridinyl)-5-(methoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 58997442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).