5-(3-carboxyphenyl)pyridine-2-carboxylic acid

C13H9NO4 — CID 53223177

IUPAC5-(3-carboxyphenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C13H9NO4/c15-12(16)9-3-1-2-8(6-9)10-4-5-11(13(17)18)14-7-10/h1-7H,(H,15,16)(H,17,18)
InChIKeyRJOMHWSTNNHRSL-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.14
Rot. Bonds3

About 5-(3-carboxyphenyl)pyridine-2-carboxylic acid

5-(3-carboxyphenyl)pyridine-2-carboxylic acid (PubChem CID 53223177) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-(3-carboxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-carboxyphenyl)pyridine-2-carboxylic acid
PubChem CID53223177
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name5-(3-carboxyphenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C13H9NO4/c15-12(16)9-3-1-2-8(6-9)10-4-5-11(13(17)18)14-7-10/h1-7H,(H,15,16)(H,17,18)
InChIKeyRJOMHWSTNNHRSL-UHFFFAOYSA-N
XLogP2.14
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 50998562
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-pyridin-3-ylbenzoic acid
CID 2795575
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
5-(3,5-difluorophenyl)pyridine-2-carboxylic acid
CID 52983927
5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid
CID 53223825
3-(2-aminoquinazolin-6-yl)benzoic acid
CID 58829166
pyridine-2,5-dicarboxylic acid
CID 158970171
3-(4-chlorophenyl)benzoic acid
CID 2757419

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-carboxyphenyl)pyridine-2-carboxylic acid (CID 53223177) is 5-(3-carboxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-carboxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-carboxyphenyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-(3-carboxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is RJOMHWSTNNHRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-12(16)9-3-1-2-8(6-9)10-4-5-11(13(17)18)14-7-10/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 5-(3-carboxyphenyl)pyridine-2-carboxylic acid?
5-(3-carboxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53223177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).