ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate

C17H15ClN2O2 — CID 68619344

IUPACethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(Cl)c2)c2ncc(C)n2c1
InChIInChI=1S/C17H15ClN2O2/c1-3-22-17(21)13-8-15(12-5-4-6-14(18)7-12)16-19-9-11(2)20(16)10-13/h4-10H,3H2,1-2H3
InChIKeyMYMGYYGUUTUAPL-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.14
Rot. Bonds3

About ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate

ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 68619344) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID68619344
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Nameethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(Cl)c2)c2ncc(C)n2c1
InChIInChI=1S/C17H15ClN2O2/c1-3-22-17(21)13-8-15(12-5-4-6-14(18)7-12)16-19-9-11(2)20(16)10-13/h4-10H,3H2,1-2H3
InChIKeyMYMGYYGUUTUAPL-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 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate (CID 68619344) is ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)c1cc(-c2cccc(Cl)c2)c2ncc(C)n2c1.
What is the InChIKey of ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is MYMGYYGUUTUAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-3-22-17(21)13-8-15(12-5-4-6-14(18)7-12)16-19-9-11(2)20(16)10-13/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate?
ethyl 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-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 8-(3-chlorophenyl)-3-methylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 68619344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).