ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate

C17H15ClN2O2 — CID 10805249

IUPACethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)nc2ccc(C)cn12
InChIInChI=1S/C17H15ClN2O2/c1-3-22-17(21)16-15(12-5-7-13(18)8-6-12)19-14-9-4-11(2)10-20(14)16/h4-10H,3H2,1-2H3
InChIKeyJLYYPDNOEKBLHQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.14
Rot. Bonds3

About ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 10805249) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID10805249
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Nameethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)nc2ccc(C)cn12
InChIInChI=1S/C17H15ClN2O2/c1-3-22-17(21)16-15(12-5-7-13(18)8-6-12)19-14-9-4-11(2)10-20(14)16/h4-10H,3H2,1-2H3
InChIKeyJLYYPDNOEKBLHQ-UHFFFAOYSA-N
XLogP4.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 10805249) is ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)nc2ccc(C)cn12.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is JLYYPDNOEKBLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-3-22-17(21)16-15(12-5-7-13(18)8-6-12)19-14-9-4-11(2)10-20(14)16/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 314.77 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 10805249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).