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

C13H7ClFNO4 — CID 53223834

IUPAC5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc(Cl)cc2C(=O)O)cc1F
InChIInChI=1S/C13H7ClFNO4/c14-11-4-8(13(19)20)9(5-16-11)6-1-2-7(12(17)18)10(15)3-6/h1-5H,(H,17,18)(H,19,20)
InChIKeyFNJABWGUCLHSOQ-UHFFFAOYSA-N
MW295.65 g/mol
LogP2.94
Rot. Bonds3

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

5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid (PubChem CID 53223834) has the molecular formula C13H7ClFNO4 and a molecular weight of 295.65 g/mol. Its IUPAC name is 5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid
PubChem CID53223834
Molecular FormulaC13H7ClFNO4
Molecular Weight295.65 g/mol
Exact Mass295.00
IUPAC Name5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc(Cl)cc2C(=O)O)cc1F
InChIInChI=1S/C13H7ClFNO4/c14-11-4-8(13(19)20)9(5-16-11)6-1-2-7(12(17)18)10(15)3-6/h1-5H,(H,17,18)(H,19,20)
InChIKeyFNJABWGUCLHSOQ-UHFFFAOYSA-N
XLogP2.94
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.65
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid?
The IUPAC name of 5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid (CID 53223834) is 5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid?
The canonical SMILES for 5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid is O=C(O)c1ccc(-c2cnc(Cl)cc2C(=O)O)cc1F.
What is the InChIKey of 5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid?
The InChIKey is FNJABWGUCLHSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNO4/c14-11-4-8(13(19)20)9(5-16-11)6-1-2-7(12(17)18)10(15)3-6/h1-5H,(H,17,18)(H,19,20).
What are the key properties of 5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid?
5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid has a molecular weight of 295.65 g/mol, XLogP of 2.94, 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)-2-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 53223834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).