4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid

C8H5N3O3 — CID 115018357

IUPAC4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ncon2)ccn1
InChIInChI=1S/C8H5N3O3/c12-8(13)6-3-5(1-2-9-6)7-10-4-14-11-7/h1-4H,(H,12,13)
InChIKeyWNJZITNCRBYYBR-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.83
Rot. Bonds2

About 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid

4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid (PubChem CID 115018357) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid
PubChem CID115018357
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ncon2)ccn1
InChIInChI=1S/C8H5N3O3/c12-8(13)6-3-5(1-2-9-6)7-10-4-14-11-7/h1-4H,(H,12,13)
InChIKeyWNJZITNCRBYYBR-UHFFFAOYSA-N
XLogP0.83
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid (CID 115018357) is 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid is O=C(O)c1cc(-c2ncon2)ccn1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid?
The InChIKey is WNJZITNCRBYYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-8(13)6-3-5(1-2-9-6)7-10-4-14-11-7/h1-4H,(H,12,13).
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid?
4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid has a molecular weight of 191.15 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115018357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).