2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole

C10H9ClFN3O — CID 64950082

IUPAC2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
SMILESFc1cnccc1-c1nnc(CCCCl)o1
InChIInChI=1S/C10H9ClFN3O/c11-4-1-2-9-14-15-10(16-9)7-3-5-13-6-8(7)12/h3,5-6H,1-2,4H2
InChIKeyMJFKRVZQOHKMMC-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.44
Rot. Bonds4

About 2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole

2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole (PubChem CID 64950082) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
PubChem CID64950082
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
SMILESFc1cnccc1-c1nnc(CCCCl)o1
InChIInChI=1S/C10H9ClFN3O/c11-4-1-2-9-14-15-10(16-9)7-3-5-13-6-8(7)12/h3,5-6H,1-2,4H2
InChIKeyMJFKRVZQOHKMMC-UHFFFAOYSA-N
XLogP2.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole (CID 64950082) is 2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole is Fc1cnccc1-c1nnc(CCCCl)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is MJFKRVZQOHKMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c11-4-1-2-9-14-15-10(16-9)7-3-5-13-6-8(7)12/h3,5-6H,1-2,4H2.
What are the key properties of 2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole?
2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 241.65 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 64950082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).