3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid

C8H5IN2O2 — CID 59588464

IUPAC3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(I)cnc12
InChIInChI=1S/C8H5IN2O2/c9-6-4-10-7-5(8(12)13)2-1-3-11(6)7/h1-4H,(H,12,13)
InChIKeyBJXADZFBNVUZMS-UHFFFAOYSA-N
MW288.04 g/mol
LogP1.64
Rot. Bonds1

About 3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid

3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 59588464) has the molecular formula C8H5IN2O2 and a molecular weight of 288.04 g/mol. Its IUPAC name is 3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID59588464
Molecular FormulaC8H5IN2O2
Molecular Weight288.04 g/mol
Exact Mass287.94
IUPAC Name3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(I)cnc12
InChIInChI=1S/C8H5IN2O2/c9-6-4-10-7-5(8(12)13)2-1-3-11(6)7/h1-4H,(H,12,13)
InChIKeyBJXADZFBNVUZMS-UHFFFAOYSA-N
XLogP1.64
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 51.64
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-iodoimidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid (CID 59588464) is 3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(I)cnc12.
What is the InChIKey of 3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is BJXADZFBNVUZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O2/c9-6-4-10-7-5(8(12)13)2-1-3-11(6)7/h1-4H,(H,12,13).
What are the key properties of 3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid?
3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 288.04 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 59588464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).