5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid

C12H7ClINO3 — CID 43144816

IUPAC5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Oc2cccc(I)c2)c(Cl)c1
InChIInChI=1S/C12H7ClINO3/c13-10-4-7(12(16)17)6-15-11(10)18-9-3-1-2-8(14)5-9/h1-6H,(H,16,17)
InChIKeyAMABBMOEYHDHEY-UHFFFAOYSA-N
MW375.55 g/mol
LogP3.83
Rot. Bonds3

About 5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid

5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid (PubChem CID 43144816) has the molecular formula C12H7ClINO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is 5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid
PubChem CID43144816
Molecular FormulaC12H7ClINO3
Molecular Weight375.55 g/mol
Exact Mass374.92
IUPAC Name5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Oc2cccc(I)c2)c(Cl)c1
InChIInChI=1S/C12H7ClINO3/c13-10-4-7(12(16)17)6-15-11(10)18-9-3-1-2-8(14)5-9/h1-6H,(H,16,17)
InChIKeyAMABBMOEYHDHEY-UHFFFAOYSA-N
XLogP3.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-chloro-6-(3-iodophenoxy)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

Related Compounds

5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol
CID 61255474
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
4-amino-3-(3-iodophenoxy)benzoic acid
CID 82796588
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623
6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid
CID 43609551
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid (CID 43144816) is 5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cnc(Oc2cccc(I)c2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid?
The InChIKey is AMABBMOEYHDHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClINO3/c13-10-4-7(12(16)17)6-15-11(10)18-9-3-1-2-8(14)5-9/h1-6H,(H,16,17).
What are the key properties of 5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid?
5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid has a molecular weight of 375.55 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 43144816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).