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

C14H8BrN3O3 — CID 81437606

IUPAC2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C14H8BrN3O3/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)
InChIKeyCLYIFTJHMVMITE-UHFFFAOYSA-N
MW346.14 g/mol
LogP3.26
Rot. Bonds3

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

2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid (PubChem CID 81437606) has the molecular formula C14H8BrN3O3 and a molecular weight of 346.14 g/mol. Its IUPAC name is 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
PubChem CID81437606
Molecular FormulaC14H8BrN3O3
Molecular Weight346.14 g/mol
Exact Mass344.97
IUPAC Name2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C14H8BrN3O3/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)
InChIKeyCLYIFTJHMVMITE-UHFFFAOYSA-N
XLogP3.26
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic 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-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The IUPAC name of 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid (CID 81437606) is 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The canonical SMILES for 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid is O=C(O)c1ccccc1-c1nnc(-c2cncc(Br)c2)o1.
What is the InChIKey of 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The InChIKey is CLYIFTJHMVMITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O3/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-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid has a molecular weight of 346.14 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid is sourced from PubChem (CID 81437606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).