5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid

C13H8FNO4 — CID 53223825

IUPAC5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)c(F)c2)cn1
InChIInChI=1S/C13H8FNO4/c14-10-5-7(1-3-9(10)12(16)17)8-2-4-11(13(18)19)15-6-8/h1-6H,(H,16,17)(H,18,19)
InChIKeyOWPJQUOOOMZYPZ-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.28
Rot. Bonds3

About 5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid

5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid (PubChem CID 53223825) has the molecular formula C13H8FNO4 and a molecular weight of 261.21 g/mol. Its IUPAC name is 5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid
PubChem CID53223825
Molecular FormulaC13H8FNO4
Molecular Weight261.21 g/mol
Exact Mass261.04
IUPAC Name5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)c(F)c2)cn1
InChIInChI=1S/C13H8FNO4/c14-10-5-7(1-3-9(10)12(16)17)8-2-4-11(13(18)19)15-6-8/h1-6H,(H,16,17)(H,18,19)
InChIKeyOWPJQUOOOMZYPZ-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

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Related Compounds

5-(3,5-difluorophenyl)pyridine-2-carboxylic acid
CID 52983927
4-(3,5-difluorophenyl)-2-fluorobenzoic acid
CID 53211091
5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 79691259
5-(3-carboxyphenyl)pyridine-2-carboxylic acid
CID 53223177
5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid
CID 53223834
2-fluoro-4-(4-methylsulfanylphenyl)benzoic acid
CID 53226428
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid
CID 53227368
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid
CID 81224347
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912

Frequently Asked Questions

What is the IUPAC name of 5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid (CID 53223825) is 5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(C(=O)O)c(F)c2)cn1.
What is the InChIKey of 5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is OWPJQUOOOMZYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO4/c14-10-5-7(1-3-9(10)12(16)17)8-2-4-11(13(18)19)15-6-8/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid?
5-(4-carboxy-3-fluorophenyl)pyridine-2-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-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53223825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).