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

C8H5ClFN3O — CID 178101047

IUPAC5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESFc1cccnc1-c1noc(CCl)n1
InChIInChI=1S/C8H5ClFN3O/c9-4-6-12-8(13-14-6)7-5(10)2-1-3-11-7/h1-3H,4H2
InChIKeyXVSFKUXHVSFUNE-UHFFFAOYSA-N
MW213.60 g/mol
LogP2.01
Rot. Bonds2

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

5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 178101047) has the molecular formula C8H5ClFN3O and a molecular weight of 213.60 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID178101047
Molecular FormulaC8H5ClFN3O
Molecular Weight213.60 g/mol
Exact Mass213.01
IUPAC Name5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESFc1cccnc1-c1noc(CCl)n1
InChIInChI=1S/C8H5ClFN3O/c9-4-6-12-8(13-14-6)7-5(10)2-1-3-11-7/h1-3H,4H2
InChIKeyXVSFKUXHVSFUNE-UHFFFAOYSA-N
XLogP2.01
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.60
LogP ≤ 52.01
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 5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole (CID 178101047) is 5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole is Fc1cccnc1-c1noc(CCl)n1.
What is the InChIKey of 5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is XVSFKUXHVSFUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3O/c9-4-6-12-8(13-14-6)7-5(10)2-1-3-11-7/h1-3H,4H2.
What are the key properties of 5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 213.60 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 178101047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).