2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid

C14H8FN3O3 — CID 104786517

IUPAC2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1nnc(-c2cncc(F)c2)o1
InChIInChI=1S/C14H8FN3O3/c15-9-5-8(6-16-7-9)12-17-18-13(21-12)10-3-1-2-4-11(10)14(19)20/h1-7H,(H,19,20)
InChIKeyUITSWYBBUGJUGY-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.64
Rot. Bonds3

About 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid

2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid (PubChem CID 104786517) has the molecular formula C14H8FN3O3 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
PubChem CID104786517
Molecular FormulaC14H8FN3O3
Molecular Weight285.23 g/mol
Exact Mass285.05
IUPAC Name2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1nnc(-c2cncc(F)c2)o1
InChIInChI=1S/C14H8FN3O3/c15-9-5-8(6-16-7-9)12-17-18-13(21-12)10-3-1-2-4-11(10)14(19)20/h1-7H,(H,19,20)
InChIKeyUITSWYBBUGJUGY-UHFFFAOYSA-N
XLogP2.64
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 81437606
2-fluoro-3-(5-fluoro-3-pyridinyl)benzoic acid
CID 107957127
4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid
CID 54965819
2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 114770928
2-(5-bromo-1,3,4-oxadiazol-2-yl)benzoic acid
CID 83681456
2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 81445091
2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid
CID 82719722
2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 113452902
ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 54008795
2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 154868597
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The IUPAC name of 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid (CID 104786517) is 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The canonical SMILES for 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid is O=C(O)c1ccccc1-c1nnc(-c2cncc(F)c2)o1.
What is the InChIKey of 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The InChIKey is UITSWYBBUGJUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3/c15-9-5-8(6-16-7-9)12-17-18-13(21-12)10-3-1-2-4-11(10)14(19)20/h1-7H,(H,19,20).
What are the key properties of 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid has a molecular weight of 285.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid is sourced from PubChem (CID 104786517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).