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

C14H9ClFN3O2 — CID 45277100

IUPAC2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(Cl)nc3)o2)c(F)c1
InChIInChI=1S/C14H9ClFN3O2/c1-20-9-3-4-10(11(16)6-9)14-19-18-13(21-14)8-2-5-12(15)17-7-8/h2-7H,1H3
InChIKeyORNBEBXOPVLOCL-UHFFFAOYSA-N
MW305.70 g/mol
LogP3.60
Rot. Bonds3

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

2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 45277100) has the molecular formula C14H9ClFN3O2 and a molecular weight of 305.70 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID45277100
Molecular FormulaC14H9ClFN3O2
Molecular Weight305.70 g/mol
Exact Mass305.04
IUPAC Name2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(Cl)nc3)o2)c(F)c1
InChIInChI=1S/C14H9ClFN3O2/c1-20-9-3-4-10(11(16)6-9)14-19-18-13(21-14)8-2-5-12(15)17-7-8/h2-7H,1H3
InChIKeyORNBEBXOPVLOCL-UHFFFAOYSA-N
XLogP3.60
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 53.60
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-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole (CID 45277100) is 2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc(Cl)nc3)o2)c(F)c1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is ORNBEBXOPVLOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2/c1-20-9-3-4-10(11(16)6-9)14-19-18-13(21-14)8-2-5-12(15)17-7-8/h2-7H,1H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole?
2-(6-chloro-3-pyridinyl)-5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 305.70 g/mol, XLogP of 3.60, 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-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 45277100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).