5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid

C12H9IN2O3 — CID 81439625

IUPAC5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Oc1ccccc1I
InChIInChI=1S/C12H9IN2O3/c13-8-3-1-2-4-10(8)18-11-9(14)5-7(6-15-11)12(16)17/h1-6H,14H2,(H,16,17)
InChIKeyDUGDHNZJTLATSW-UHFFFAOYSA-N
MW356.12 g/mol
LogP2.76
Rot. Bonds3

About 5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid

5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid (PubChem CID 81439625) has the molecular formula C12H9IN2O3 and a molecular weight of 356.12 g/mol. Its IUPAC name is 5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
PubChem CID81439625
Molecular FormulaC12H9IN2O3
Molecular Weight356.12 g/mol
Exact Mass355.97
IUPAC Name5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Oc1ccccc1I
InChIInChI=1S/C12H9IN2O3/c13-8-3-1-2-4-10(8)18-11-9(14)5-7(6-15-11)12(16)17/h1-6H,14H2,(H,16,17)
InChIKeyDUGDHNZJTLATSW-UHFFFAOYSA-N
XLogP2.76
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid (CID 81439625) is 5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1Oc1ccccc1I.
What is the InChIKey of 5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid?
The InChIKey is DUGDHNZJTLATSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O3/c13-8-3-1-2-4-10(8)18-11-9(14)5-7(6-15-11)12(16)17/h1-6H,14H2,(H,16,17).
What are the key properties of 5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid?
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid has a molecular weight of 356.12 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81439625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).