ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate

C10H9IN2O2 — CID 69203579

IUPACethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(I)cn12
InChIInChI=1S/C10H9IN2O2/c1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9/h3-6H,2H2,1H3
InChIKeyNOBMGJQQYUKZFC-UHFFFAOYSA-N
MW316.10 g/mol
LogP2.12
Rot. Bonds2

About ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 69203579) has the molecular formula C10H9IN2O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID69203579
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC Nameethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(I)cn12
InChIInChI=1S/C10H9IN2O2/c1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9/h3-6H,2H2,1H3
InChIKeyNOBMGJQQYUKZFC-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

ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 135393217
6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 146160536
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 149302059
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate
CID 145001485
methyl 6-methoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 76849605
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate
CID 13480896
ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 90090238
ethyl 1H-imidazo[1,2-a]imidazole-5-carboxylate
CID 177179793
ethyl 7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate;methanol
CID 178051371

Frequently Asked Questions

What is the IUPAC name of ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate (CID 69203579) is ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(I)cn12.
What is the InChIKey of ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is NOBMGJQQYUKZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9/h3-6H,2H2,1H3.
What are the key properties of ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-iodoimidazo[1,2-a]pyridine-3-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 6-iodoimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 69203579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).