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

C13H8FN3O3 — CID 162531071

IUPAC5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1cc(F)c(-c2nc3ccncc3[nH]2)cc1O
InChIInChI=1S/C13H8FN3O3/c14-8-3-7(13(19)20)11(18)4-6(8)12-16-9-1-2-15-5-10(9)17-12/h1-5,18H,(H,16,17)(H,19,20)
InChIKeyDXQLJVLOWQWUKC-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.17
Rot. Bonds2

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

5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid (PubChem CID 162531071) has the molecular formula C13H8FN3O3 and a molecular weight of 273.22 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
PubChem CID162531071
Molecular FormulaC13H8FN3O3
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1cc(F)c(-c2nc3ccncc3[nH]2)cc1O
InChIInChI=1S/C13H8FN3O3/c14-8-3-7(13(19)20)11(18)4-6(8)12-16-9-1-2-15-5-10(9)17-12/h1-5,18H,(H,16,17)(H,19,20)
InChIKeyDXQLJVLOWQWUKC-UHFFFAOYSA-N
XLogP2.17
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-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

Related Compounds

4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 137011269
3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
CID 136928276
2-(2,4,6-trifluorophenyl)-3H-imidazo[4,5-c]pyridine
CID 65100267
4-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoic acid
CID 71213014
4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline
CID 55169075
4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol
CID 67896665
2-(2-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine
CID 81477423
6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid
CID 113398072
2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid
CID 117166789
3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyridin-4-one
CID 136812530
2-[2-(fluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine
CID 143605442
2-(4,5-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine
CID 156838859

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid?
The IUPAC name of 5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid (CID 162531071) is 5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid?
The canonical SMILES for 5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid is O=C(O)c1cc(F)c(-c2nc3ccncc3[nH]2)cc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid?
The InChIKey is DXQLJVLOWQWUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O3/c14-8-3-7(13(19)20)11(18)4-6(8)12-16-9-1-2-15-5-10(9)17-12/h1-5,18H,(H,16,17)(H,19,20).
What are the key properties of 5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid?
5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid has a molecular weight of 273.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 162531071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).