ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate

C17H15FN2O3 — CID 70518018

IUPACethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cccc(OCc3ccccc3F)c2n1
InChIInChI=1S/C17H15FN2O3/c1-2-22-17(21)14-10-20-9-5-8-15(16(20)19-14)23-11-12-6-3-4-7-13(12)18/h3-10H,2,11H2,1H3
InChIKeyCQPOUJQOLGQKKK-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.23
Rot. Bonds5

About ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 70518018) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID70518018
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Nameethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cccc(OCc3ccccc3F)c2n1
InChIInChI=1S/C17H15FN2O3/c1-2-22-17(21)14-10-20-9-5-8-15(16(20)19-14)23-11-12-6-3-4-7-13(12)18/h3-10H,2,11H2,1H3
InChIKeyCQPOUJQOLGQKKK-UHFFFAOYSA-N
XLogP3.23
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate (CID 70518018) is ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cccc(OCc3ccccc3F)c2n1.
What is the InChIKey of ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CQPOUJQOLGQKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-2-22-17(21)14-10-20-9-5-8-15(16(20)19-14)23-11-12-6-3-4-7-13(12)18/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 314.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 70518018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).