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

C8H4FN3O3 — CID 112619460

IUPAC5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccncc2F)o1
InChIInChI=1S/C8H4FN3O3/c9-5-3-10-2-1-4(5)6-11-12-7(15-6)8(13)14/h1-3H,(H,13,14)
InChIKeyBYJJAIDWMKBKLH-UHFFFAOYSA-N
MW209.14 g/mol
LogP0.97
Rot. Bonds2

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

5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 112619460) has the molecular formula C8H4FN3O3 and a molecular weight of 209.14 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID112619460
Molecular FormulaC8H4FN3O3
Molecular Weight209.14 g/mol
Exact Mass209.02
IUPAC Name5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccncc2F)o1
InChIInChI=1S/C8H4FN3O3/c9-5-3-10-2-1-4(5)6-11-12-7(15-6)8(13)14/h1-3H,(H,13,14)
InChIKeyBYJJAIDWMKBKLH-UHFFFAOYSA-N
XLogP0.97
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 105064288
2-(3-fluoro-4-pyridinyl)-1,3-benzoxazole-4-carboxylic acid
CID 81346439
3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 64955725
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
CID 64950082
5-(3-fluoro-4-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 131555755
2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
CID 141446010
5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619602
4-fluoropyridine-3-carboxylic acid
CID 2762936
5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392269
4-(3-fluoro-4-pyridinyl)-3-methylbenzoic acid
CID 104738752
4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid
CID 107989864

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 112619460) is 5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(-c2ccncc2F)o1.
What is the InChIKey of 5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is BYJJAIDWMKBKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN3O3/c9-5-3-10-2-1-4(5)6-11-12-7(15-6)8(13)14/h1-3H,(H,13,14).
What are the key properties of 5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 209.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 112619460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).