2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid

C9H7N3O3 — CID 58252537

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid
SMILESCc1noc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C9H7N3O3/c1-5-11-8(15-12-5)7-4-6(9(13)14)2-3-10-7/h2-4H,1H3,(H,13,14)
InChIKeyTYASDKUXGAEFRR-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.14
Rot. Bonds2

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid

2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid (PubChem CID 58252537) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid
PubChem CID58252537
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid
SMILESCc1noc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C9H7N3O3/c1-5-11-8(15-12-5)7-4-6(9(13)14)2-3-10-7/h2-4H,1H3,(H,13,14)
InChIKeyTYASDKUXGAEFRR-UHFFFAOYSA-N
XLogP1.14
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-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 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid (CID 58252537) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid is Cc1noc(-c2cc(C(=O)O)ccn2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid?
The InChIKey is TYASDKUXGAEFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-5-11-8(15-12-5)7-4-6(9(13)14)2-3-10-7/h2-4H,1H3,(H,13,14).
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid?
2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 58252537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).