4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid

C13H9N3O2 — CID 13227303

IUPAC4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc3ccncc3[nH]2)cc1
InChIInChI=1S/C13H9N3O2/c17-13(18)9-3-1-8(2-4-9)12-15-10-5-6-14-7-11(10)16-12/h1-7H,(H,15,16)(H,17,18)
InChIKeyVFNQUSRGVSPQPX-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.32
Rot. Bonds2

About 4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid

4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid (PubChem CID 13227303) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
PubChem CID13227303
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc3ccncc3[nH]2)cc1
InChIInChI=1S/C13H9N3O2/c17-13(18)9-3-1-8(2-4-9)12-15-10-5-6-14-7-11(10)16-12/h1-7H,(H,15,16)(H,17,18)
InChIKeyVFNQUSRGVSPQPX-UHFFFAOYSA-N
XLogP2.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid (CID 13227303) is 4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid is O=C(O)c1ccc(-c2nc3ccncc3[nH]2)cc1.
What is the InChIKey of 4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid?
The InChIKey is VFNQUSRGVSPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)9-3-1-8(2-4-9)12-15-10-5-6-14-7-11(10)16-12/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid?
4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid has a molecular weight of 239.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 13227303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).