5-amino-3-iodopyridine-2-carboxylic acid

C6H5IN2O2 — CID 133054416

IUPAC5-amino-3-iodopyridine-2-carboxylic acid
SMILESNc1cnc(C(=O)O)c(I)c1
InChIInChI=1S/C6H5IN2O2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,8H2,(H,10,11)
InChIKeyZBKYKBAVMYDYPU-UHFFFAOYSA-N
MW264.02 g/mol
LogP0.97
Rot. Bonds1

About 5-amino-3-iodopyridine-2-carboxylic acid

5-amino-3-iodopyridine-2-carboxylic acid (PubChem CID 133054416) has the molecular formula C6H5IN2O2 and a molecular weight of 264.02 g/mol. Its IUPAC name is 5-amino-3-iodopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-iodopyridine-2-carboxylic acid
PubChem CID133054416
Molecular FormulaC6H5IN2O2
Molecular Weight264.02 g/mol
Exact Mass263.94
IUPAC Name5-amino-3-iodopyridine-2-carboxylic acid
SMILESNc1cnc(C(=O)O)c(I)c1
InChIInChI=1S/C6H5IN2O2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,8H2,(H,10,11)
InChIKeyZBKYKBAVMYDYPU-UHFFFAOYSA-N
XLogP0.97
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.02
LogP ≤ 50.97
H-Bond Donors ≤ 52
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 5-amino-3-iodopyridine-2-carboxylic acid?
The IUPAC name of 5-amino-3-iodopyridine-2-carboxylic acid (CID 133054416) is 5-amino-3-iodopyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-3-iodopyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-3-iodopyridine-2-carboxylic acid is Nc1cnc(C(=O)O)c(I)c1.
What is the InChIKey of 5-amino-3-iodopyridine-2-carboxylic acid?
The InChIKey is ZBKYKBAVMYDYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN2O2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,8H2,(H,10,11).
What are the key properties of 5-amino-3-iodopyridine-2-carboxylic acid?
5-amino-3-iodopyridine-2-carboxylic acid has a molecular weight of 264.02 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-iodopyridine-2-carboxylic acid is sourced from PubChem (CID 133054416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).