ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

C11H8F3IN2O2 — CID 71741988

IUPACethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(I)cc(C(F)(F)F)c2n1
InChIInChI=1S/C11H8F3IN2O2/c1-2-19-10(18)8-5-17-4-6(15)3-7(9(17)16-8)11(12,13)14/h3-5H,2H2,1H3
InChIKeyFMSXOZWTVWZJMG-UHFFFAOYSA-N
MW384.10 g/mol
LogP3.13
Rot. Bonds2

About ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 71741988) has the molecular formula C11H8F3IN2O2 and a molecular weight of 384.10 g/mol. Its IUPAC name is ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID71741988
Molecular FormulaC11H8F3IN2O2
Molecular Weight384.10 g/mol
Exact Mass383.96
IUPAC Nameethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(I)cc(C(F)(F)F)c2n1
InChIInChI=1S/C11H8F3IN2O2/c1-2-19-10(18)8-5-17-4-6(15)3-7(9(17)16-8)11(12,13)14/h3-5H,2H2,1H3
InChIKeyFMSXOZWTVWZJMG-UHFFFAOYSA-N
XLogP3.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.10
LogP ≤ 53.13
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 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 71741988) is ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(I)cc(C(F)(F)F)c2n1.
What is the InChIKey of ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is FMSXOZWTVWZJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3IN2O2/c1-2-19-10(18)8-5-17-4-6(15)3-7(9(17)16-8)11(12,13)14/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 384.10 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 71741988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).