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

C15H11ClN2O2 — CID 68620253

IUPACmethyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2)c2nccn2c1
InChIInChI=1S/C15H11ClN2O2/c1-20-15(19)11-8-13(10-3-2-4-12(16)7-10)14-17-5-6-18(14)9-11/h2-9H,1H3
InChIKeySMPSQILBXZFBOS-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.44
Rot. Bonds2

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

methyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 68620253) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is methyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID68620253
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Namemethyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2)c2nccn2c1
InChIInChI=1S/C15H11ClN2O2/c1-20-15(19)11-8-13(10-3-2-4-12(16)7-10)14-17-5-6-18(14)9-11/h2-9H,1H3
InChIKeySMPSQILBXZFBOS-UHFFFAOYSA-N
XLogP3.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.44
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)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 68620253) is methyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1cc(-c2cccc(Cl)c2)c2nccn2c1.
What is the InChIKey of methyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is SMPSQILBXZFBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-15(19)11-8-13(10-3-2-4-12(16)7-10)14-17-5-6-18(14)9-11/h2-9H,1H3.
What are the key properties of methyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 8-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 286.72 g/mol, XLogP of 3.44, 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)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 68620253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).