5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid

C13H8FNO4 — CID 53223804

IUPAC5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cc(F)cc(C(=O)O)c2)c1
InChIInChI=1S/C13H8FNO4/c14-11-3-7(1-8(4-11)12(16)17)9-2-10(13(18)19)6-15-5-9/h1-6H,(H,16,17)(H,18,19)
InChIKeyIBUKKQNBYLICOY-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.28
Rot. Bonds3

About 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid

5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid (PubChem CID 53223804) has the molecular formula C13H8FNO4 and a molecular weight of 261.21 g/mol. Its IUPAC name is 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid
PubChem CID53223804
Molecular FormulaC13H8FNO4
Molecular Weight261.21 g/mol
Exact Mass261.04
IUPAC Name5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cc(F)cc(C(=O)O)c2)c1
InChIInChI=1S/C13H8FNO4/c14-11-3-7(1-8(4-11)12(16)17)9-2-10(13(18)19)6-15-5-9/h1-6H,(H,16,17)(H,18,19)
InChIKeyIBUKKQNBYLICOY-UHFFFAOYSA-N
XLogP2.28
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic 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

3-(5-cyano-3-pyridinyl)-5-fluorobenzoic acid
CID 103186503
3-[6-(3-carboxy-5-fluorophenyl)-1,2,4,5-tetrazin-3-yl]-5-(18F)fluoro(18F)benzoic acid
CID 176800034
3-fluoro-5-(6-oxo-1H-pyridazin-4-yl)benzoic acid
CID 106522840
3-fluoro-5-(6-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 106522847
5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylic acid
CID 175730512
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
3-(3-ethylimidazol-4-yl)-5-fluorobenzoic acid
CID 164526864
5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol
CID 21128394
3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid
CID 164527790
5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid
CID 79743488
3-[4-(carboxymethyl)phenyl]-5-fluorobenzoic acid
CID 70699869

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid (CID 53223804) is 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cc(F)cc(C(=O)O)c2)c1.
What is the InChIKey of 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is IBUKKQNBYLICOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO4/c14-11-3-7(1-8(4-11)12(16)17)9-2-10(13(18)19)6-15-5-9/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid?
5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 261.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53223804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).