4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid

C13H9N3O3 — CID 118027359

IUPAC4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2c(=O)[nH]c3cnccc32)cc1
InChIInChI=1S/C13H9N3O3/c17-12(18)8-1-3-9(4-2-8)16-11-5-6-14-7-10(11)15-13(16)19/h1-7H,(H,15,19)(H,17,18)
InChIKeyAPQLFTVHTFFMQG-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.41
Rot. Bonds2

About 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid

4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid (PubChem CID 118027359) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid
PubChem CID118027359
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2c(=O)[nH]c3cnccc32)cc1
InChIInChI=1S/C13H9N3O3/c17-12(18)8-1-3-9(4-2-8)16-11-5-6-14-7-10(11)15-13(16)19/h1-7H,(H,15,19)(H,17,18)
InChIKeyAPQLFTVHTFFMQG-UHFFFAOYSA-N
XLogP1.41
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid?
The IUPAC name of 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid (CID 118027359) is 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid.
What is the SMILES notation for 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid?
The canonical SMILES for 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid is O=C(O)c1ccc(-n2c(=O)[nH]c3cnccc32)cc1.
What is the InChIKey of 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid?
The InChIKey is APQLFTVHTFFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-12(18)8-1-3-9(4-2-8)16-11-5-6-14-7-10(11)15-13(16)19/h1-7H,(H,15,19)(H,17,18).
What are the key properties of 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid?
4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid has a molecular weight of 255.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid is sourced from PubChem (CID 118027359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).