methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate

C16H13ClN2O3 — CID 117256025

IUPACmethyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2ncc(COc3ccc(Cl)cc3)n12
InChIInChI=1S/C16H13ClN2O3/c1-21-16(20)14-3-2-4-15-18-9-12(19(14)15)10-22-13-7-5-11(17)6-8-13/h2-9H,10H2,1H3
InChIKeyGHBZDDRWLSTQOY-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.35
Rot. Bonds4

About methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 117256025) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID117256025
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Namemethyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2ncc(COc3ccc(Cl)cc3)n12
InChIInChI=1S/C16H13ClN2O3/c1-21-16(20)14-3-2-4-15-18-9-12(19(14)15)10-22-13-7-5-11(17)6-8-13/h2-9H,10H2,1H3
InChIKeyGHBZDDRWLSTQOY-UHFFFAOYSA-N
XLogP3.35
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 117256025) is methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2ncc(COc3ccc(Cl)cc3)n12.
What is the InChIKey of methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is GHBZDDRWLSTQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-21-16(20)14-3-2-4-15-18-9-12(19(14)15)10-22-13-7-5-11(17)6-8-13/h2-9H,10H2,1H3.
What are the key properties of methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 316.74 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 117256025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).