5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid

C9H5F2N3O3 — CID 150492556

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C9H5F2N3O3/c10-6(11)8-14-13-7(17-8)4-1-2-5(9(15)16)12-3-4/h1-3,6H,(H,15,16)
InChIKeyHWCGZNIMYXFZKU-UHFFFAOYSA-N
MW241.15 g/mol
LogP1.77
Rot. Bonds3

About 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid (PubChem CID 150492556) has the molecular formula C9H5F2N3O3 and a molecular weight of 241.15 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
PubChem CID150492556
Molecular FormulaC9H5F2N3O3
Molecular Weight241.15 g/mol
Exact Mass241.03
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C9H5F2N3O3/c10-6(11)8-14-13-7(17-8)4-1-2-5(9(15)16)12-3-4/h1-3,6H,(H,15,16)
InChIKeyHWCGZNIMYXFZKU-UHFFFAOYSA-N
XLogP1.77
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-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 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid (CID 150492556) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is HWCGZNIMYXFZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3O3/c10-6(11)8-14-13-7(17-8)4-1-2-5(9(15)16)12-3-4/h1-3,6H,(H,15,16).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid has a molecular weight of 241.15 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 150492556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).