2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid

C13H9ClFNO3 — CID 53223344

IUPAC2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cnc(Cl)c(C(=O)O)c2)c1F
InChIInChI=1S/C13H9ClFNO3/c1-19-10-4-2-3-8(11(10)15)7-5-9(13(17)18)12(14)16-6-7/h2-6H,1H3,(H,17,18)
InChIKeyUDDNSIOFLUOGFG-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.25
Rot. Bonds3

About 2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid

2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 53223344) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid
PubChem CID53223344
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cnc(Cl)c(C(=O)O)c2)c1F
InChIInChI=1S/C13H9ClFNO3/c1-19-10-4-2-3-8(11(10)15)7-5-9(13(17)18)12(14)16-6-7/h2-6H,1H3,(H,17,18)
InChIKeyUDDNSIOFLUOGFG-UHFFFAOYSA-N
XLogP3.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(2-fluoro-3-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid (CID 53223344) is 2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid is COc1cccc(-c2cnc(Cl)c(C(=O)O)c2)c1F.
What is the InChIKey of 2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is UDDNSIOFLUOGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c1-19-10-4-2-3-8(11(10)15)7-5-9(13(17)18)12(14)16-6-7/h2-6H,1H3,(H,17,18).
What are the key properties of 2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid?
2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53223344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).