3-(3-carboxyphenyl)pyridine-4-carboxylic acid

C13H9NO4 — CID 53223171

IUPAC3-(3-carboxyphenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnccc2C(=O)O)c1
InChIInChI=1S/C13H9NO4/c15-12(16)9-3-1-2-8(6-9)11-7-14-5-4-10(11)13(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKeySCMYRJXSLUWUDB-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.14
Rot. Bonds3

About 3-(3-carboxyphenyl)pyridine-4-carboxylic acid

3-(3-carboxyphenyl)pyridine-4-carboxylic acid (PubChem CID 53223171) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-(3-carboxyphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-carboxyphenyl)pyridine-4-carboxylic acid
PubChem CID53223171
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name3-(3-carboxyphenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnccc2C(=O)O)c1
InChIInChI=1S/C13H9NO4/c15-12(16)9-3-1-2-8(6-9)11-7-14-5-4-10(11)13(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKeySCMYRJXSLUWUDB-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

3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-pyridin-3-ylbenzoic acid
CID 2795575
3-[3-(2-methylpropyl)phenyl]pyridine-4-carboxylic acid
CID 116545176
3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid
CID 53224449
3-pyrimidin-5-ylpyridine-4-carboxylic acid
CID 66475076
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
2-(3-acetylphenyl)benzoic acid
CID 2756265
6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid
CID 66765387
tert-butyl 3-(3-phenyl-4-pyridinyl)benzoate
CID 174627980

Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxyphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(3-carboxyphenyl)pyridine-4-carboxylic acid (CID 53223171) is 3-(3-carboxyphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(3-carboxyphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(3-carboxyphenyl)pyridine-4-carboxylic acid is O=C(O)c1cccc(-c2cnccc2C(=O)O)c1.
What is the InChIKey of 3-(3-carboxyphenyl)pyridine-4-carboxylic acid?
The InChIKey is SCMYRJXSLUWUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-12(16)9-3-1-2-8(6-9)11-7-14-5-4-10(11)13(17)18/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 3-(3-carboxyphenyl)pyridine-4-carboxylic acid?
3-(3-carboxyphenyl)pyridine-4-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 3-(3-carboxyphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53223171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).