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

C16H13ClN2O2 — CID 68619530

IUPACmethyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2)c2nc(C)cn2c1
InChIInChI=1S/C16H13ClN2O2/c1-10-8-19-9-12(16(20)21-2)7-14(15(19)18-10)11-4-3-5-13(17)6-11/h3-9H,1-2H3
InChIKeyFXCNJZXMAFZYPQ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.75
Rot. Bonds2

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

methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 68619530) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID68619530
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Namemethyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2)c2nc(C)cn2c1
InChIInChI=1S/C16H13ClN2O2/c1-10-8-19-9-12(16(20)21-2)7-14(15(19)18-10)11-4-3-5-13(17)6-11/h3-9H,1-2H3
InChIKeyFXCNJZXMAFZYPQ-UHFFFAOYSA-N
XLogP3.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate (CID 68619530) is methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1cc(-c2cccc(Cl)c2)c2nc(C)cn2c1.
What is the InChIKey of methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is FXCNJZXMAFZYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-8-19-9-12(16(20)21-2)7-14(15(19)18-10)11-4-3-5-13(17)6-11/h3-9H,1-2H3.
What are the key properties of methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 300.75 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 68619530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).