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

C12H8INO3 — CID 114288913

IUPAC3-(4-iodophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Oc1ccc(I)cc1
InChIInChI=1S/C12H8INO3/c13-8-1-3-9(4-2-8)17-11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16)
InChIKeySUZVPTVHKFLCHU-UHFFFAOYSA-N
MW341.10 g/mol
LogP3.18
Rot. Bonds3

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

3-(4-iodophenoxy)pyridine-4-carboxylic acid (PubChem CID 114288913) has the molecular formula C12H8INO3 and a molecular weight of 341.10 g/mol. Its IUPAC name is 3-(4-iodophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-iodophenoxy)pyridine-4-carboxylic acid
PubChem CID114288913
Molecular FormulaC12H8INO3
Molecular Weight341.10 g/mol
Exact Mass340.95
IUPAC Name3-(4-iodophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Oc1ccc(I)cc1
InChIInChI=1S/C12H8INO3/c13-8-1-3-9(4-2-8)17-11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16)
InChIKeySUZVPTVHKFLCHU-UHFFFAOYSA-N
XLogP3.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.10
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-iodophenoxy)pyridine-4-carboxylic acid (CID 114288913) is 3-(4-iodophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-iodophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-iodophenoxy)pyridine-4-carboxylic acid is O=C(O)c1ccncc1Oc1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenoxy)pyridine-4-carboxylic acid?
The InChIKey is SUZVPTVHKFLCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8INO3/c13-8-1-3-9(4-2-8)17-11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16).
What are the key properties of 3-(4-iodophenoxy)pyridine-4-carboxylic acid?
3-(4-iodophenoxy)pyridine-4-carboxylic acid has a molecular weight of 341.10 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114288913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).