propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate

C12H13IN2O2 — CID 135396116

IUPACpropan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCC(C)OC(=O)Cc1cn2cccc(I)c2n1
InChIInChI=1S/C12H13IN2O2/c1-8(2)17-11(16)6-9-7-15-5-3-4-10(13)12(15)14-9/h3-5,7-8H,6H2,1-2H3
InChIKeyIKZBUHHCCKTYQF-UHFFFAOYSA-N
MW344.15 g/mol
LogP2.43
Rot. Bonds3

About propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate

propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate (PubChem CID 135396116) has the molecular formula C12H13IN2O2 and a molecular weight of 344.15 g/mol. Its IUPAC name is propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate
PubChem CID135396116
Molecular FormulaC12H13IN2O2
Molecular Weight344.15 g/mol
Exact Mass344.00
IUPAC Namepropan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCC(C)OC(=O)Cc1cn2cccc(I)c2n1
InChIInChI=1S/C12H13IN2O2/c1-8(2)17-11(16)6-9-7-15-5-3-4-10(13)12(15)14-9/h3-5,7-8H,6H2,1-2H3
InChIKeyIKZBUHHCCKTYQF-UHFFFAOYSA-N
XLogP2.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
CID 135394863
tert-butyl 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)acetate
CID 137347565
propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate
CID 135395941
(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]propanoic acid
CID 104876154
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817220
[2-(2-methylpropyl)imidazo[1,2-a]pyridin-8-yl]methanamine
CID 117137507
2-ethylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 67360702
(2R)-2-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 119882775
2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055660
N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]propan-2-amine
CID 82529653
methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 95612525
2-[8-(2-phenylethoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055648

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate (CID 135396116) is propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate is CC(C)OC(=O)Cc1cn2cccc(I)c2n1.
What is the InChIKey of propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate?
The InChIKey is IKZBUHHCCKTYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O2/c1-8(2)17-11(16)6-9-7-15-5-3-4-10(13)12(15)14-9/h3-5,7-8H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate?
propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate has a molecular weight of 344.15 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate is sourced from PubChem (CID 135396116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).