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

C7H3ClFN3O — CID 114770928

IUPAC2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
SMILESFc1cncc(-c2nnc(Cl)o2)c1
InChIInChI=1S/C7H3ClFN3O/c8-7-12-11-6(13-7)4-1-5(9)3-10-2-4/h1-3H
InChIKeyVNGFGUWDHOXLON-UHFFFAOYSA-N
MW199.57 g/mol
LogP1.92
Rot. Bonds1

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

2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 114770928) has the molecular formula C7H3ClFN3O and a molecular weight of 199.57 g/mol. Its IUPAC name is 2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID114770928
Molecular FormulaC7H3ClFN3O
Molecular Weight199.57 g/mol
Exact Mass198.99
IUPAC Name2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
SMILESFc1cncc(-c2nnc(Cl)o2)c1
InChIInChI=1S/C7H3ClFN3O/c8-7-12-11-6(13-7)4-1-5(9)3-10-2-4/h1-3H
InChIKeyVNGFGUWDHOXLON-UHFFFAOYSA-N
XLogP1.92
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.57
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole (CID 114770928) is 2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole is Fc1cncc(-c2nnc(Cl)o2)c1.
What is the InChIKey of 2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is VNGFGUWDHOXLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3O/c8-7-12-11-6(13-7)4-1-5(9)3-10-2-4/h1-3H.
What are the key properties of 2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 199.57 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114770928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).