ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate

C10H9IN2O2 — CID 10567382

IUPACethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccccn2c1I
InChIInChI=1S/C10H9IN2O2/c1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h3-6H,2H2,1H3
InChIKeyJVTBABJAZWPLGS-UHFFFAOYSA-N
MW316.10 g/mol
LogP2.12
Rot. Bonds2

About ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 10567382) has the molecular formula C10H9IN2O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID10567382
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC Nameethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccccn2c1I
InChIInChI=1S/C10H9IN2O2/c1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h3-6H,2H2,1H3
InChIKeyJVTBABJAZWPLGS-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 52.12
H-Bond Donors ≤ 50
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 ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate (CID 10567382) is ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccccn2c1I.
What is the InChIKey of ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is JVTBABJAZWPLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 316.10 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 10567382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).