3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid

C13H9N3O2 — CID 162633785

IUPAC3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2cncc3[nH]cnc23)c1
InChIInChI=1S/C13H9N3O2/c17-13(18)9-3-1-2-8(4-9)10-5-14-6-11-12(10)16-7-15-11/h1-7H,(H,15,16)(H,17,18)
InChIKeyGTUZOECCWQEYFL-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.32
Rot. Bonds2

About 3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid

3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid (PubChem CID 162633785) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid.

Molecular Properties

Compound Name3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid
PubChem CID162633785
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2cncc3[nH]cnc23)c1
InChIInChI=1S/C13H9N3O2/c17-13(18)9-3-1-2-8(4-9)10-5-14-6-11-12(10)16-7-15-11/h1-7H,(H,15,16)(H,17,18)
InChIKeyGTUZOECCWQEYFL-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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Related Compounds

3-(3-carboxyphenyl)pyridine-4-carboxylic acid
CID 53223171
7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid
CID 166598087
formic acid;3-(3H-imidazo[4,5-c]pyridin-7-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)benzamide
CID 171339884
3-(4-oxo-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-7-yl)benzoic acid
CID 138543717
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
7-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridine
CID 165423194
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone
CID 163315032
3-pyridin-3-ylbenzoic acid
CID 2795575
methyl 3-[4-(2-hydroxypropan-2-yl)-1H-benzimidazol-5-yl]benzoate
CID 175533011
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585606
4-[3-[3-(1H-benzimidazol-4-yl)phenoxy]phenyl]-1H-benzimidazole
CID 175555971
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662

Frequently Asked Questions

What is the IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid?
The IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid (CID 162633785) is 3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid.
What is the SMILES notation for 3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid?
The canonical SMILES for 3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid is O=C(O)c1cccc(-c2cncc3[nH]cnc23)c1.
What is the InChIKey of 3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid?
The InChIKey is GTUZOECCWQEYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)9-3-1-2-8(4-9)10-5-14-6-11-12(10)16-7-15-11/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid?
3-(3H-imidazo[4,5-c]pyridin-7-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 3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid is sourced from PubChem (CID 162633785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).