2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine

C12H9IN4 — CID 70825869

IUPAC2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine
SMILESCc1nccc(-c2c(I)nc3ccccn23)n1
InChIInChI=1S/C12H9IN4/c1-8-14-6-5-9(15-8)11-12(13)16-10-4-2-3-7-17(10)11/h2-7H,1H3
InChIKeyNARJXVYHKVJRAB-UHFFFAOYSA-N
MW336.14 g/mol
LogP2.70
Rot. Bonds1

About 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine

2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine (PubChem CID 70825869) has the molecular formula C12H9IN4 and a molecular weight of 336.14 g/mol. Its IUPAC name is 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine
PubChem CID70825869
Molecular FormulaC12H9IN4
Molecular Weight336.14 g/mol
Exact Mass335.99
IUPAC Name2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine
SMILESCc1nccc(-c2c(I)nc3ccccn23)n1
InChIInChI=1S/C12H9IN4/c1-8-14-6-5-9(15-8)11-12(13)16-10-4-2-3-7-17(10)11/h2-7H,1H3
InChIKeyNARJXVYHKVJRAB-UHFFFAOYSA-N
XLogP2.70
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine (CID 70825869) is 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine is Cc1nccc(-c2c(I)nc3ccccn23)n1.
What is the InChIKey of 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is NARJXVYHKVJRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN4/c1-8-14-6-5-9(15-8)11-12(13)16-10-4-2-3-7-17(10)11/h2-7H,1H3.
What are the key properties of 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine?
2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 336.14 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 70825869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).