ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate

C10H9IN2O2 — CID 59588379

IUPACethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2c(I)cnc12
InChIInChI=1S/C10H9IN2O2/c1-2-15-10(14)7-4-3-5-13-8(11)6-12-9(7)13/h3-6H,2H2,1H3
InChIKeySSKJSMLBIMXBKQ-UHFFFAOYSA-N
MW316.10 g/mol
LogP2.12
Rot. Bonds2

About ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate

ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 59588379) 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-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID59588379
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC Nameethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2c(I)cnc12
InChIInChI=1S/C10H9IN2O2/c1-2-15-10(14)7-4-3-5-13-8(11)6-12-9(7)13/h3-6H,2H2,1H3
InChIKeySSKJSMLBIMXBKQ-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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Related Compounds

3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419
3-iodo-8-methylimidazo[1,2-a]pyridine
CID 115404343
ethyl tetrazolo[1,5-a]pyridine-8-carboxylate
CID 102030693
methyl 3-(aminomethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256872
ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 90090238
ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
CID 166563440
ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid
CID 91757252
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 171530837
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 58137767

Frequently Asked Questions

What is the IUPAC name of ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate (CID 59588379) is ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1cccn2c(I)cnc12.
What is the InChIKey of ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is SSKJSMLBIMXBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c1-2-15-10(14)7-4-3-5-13-8(11)6-12-9(7)13/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate?
ethyl 3-iodoimidazo[1,2-a]pyridine-8-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-8-carboxylate is sourced from PubChem (CID 59588379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).