3-pyridin-3-ylbenzoic acid

C12H9NO2 — CID 2795575

IUPAC3-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C12H9NO2/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11/h1-8H,(H,14,15)
InChIKeyPXASTGBSGPFLFJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.45
Rot. Bonds2

About 3-pyridin-3-ylbenzoic acid

3-pyridin-3-ylbenzoic acid (PubChem CID 2795575) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-pyridin-3-ylbenzoic acid.

Molecular Properties

Compound Name3-pyridin-3-ylbenzoic acid
PubChem CID2795575
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name3-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C12H9NO2/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11/h1-8H,(H,14,15)
InChIKeyPXASTGBSGPFLFJ-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-pyridin-3-ylbenzoic 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 3-pyridin-3-ylbenzoic acid?
The IUPAC name of 3-pyridin-3-ylbenzoic acid (CID 2795575) is 3-pyridin-3-ylbenzoic acid.
What is the SMILES notation for 3-pyridin-3-ylbenzoic acid?
The canonical SMILES for 3-pyridin-3-ylbenzoic acid is O=C(O)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 3-pyridin-3-ylbenzoic acid?
The InChIKey is PXASTGBSGPFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11/h1-8H,(H,14,15).
What are the key properties of 3-pyridin-3-ylbenzoic acid?
3-pyridin-3-ylbenzoic acid has a molecular weight of 199.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylbenzoic acid is sourced from PubChem (CID 2795575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).