methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate

C15H15FN2O2 — CID 117128250

IUPACmethyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C15H15FN2O2/c1-20-15(19)11-6-4-8-18-9-13(17-14(11)18)10-5-2-3-7-12(10)16/h2-3,5,7,9,11H,4,6,8H2,1H3
InChIKeyDLICUDUQOMZOBC-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.74
Rot. Bonds2

About methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate

methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117128250) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117128250
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Namemethyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C15H15FN2O2/c1-20-15(19)11-6-4-8-18-9-13(17-14(11)18)10-5-2-3-7-12(10)16/h2-3,5,7,9,11H,4,6,8H2,1H3
InChIKeyDLICUDUQOMZOBC-UHFFFAOYSA-N
XLogP2.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate (CID 117128250) is methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate is COC(=O)C1CCCn2cc(-c3ccccc3F)nc21.
What is the InChIKey of methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is DLICUDUQOMZOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-20-15(19)11-6-4-8-18-9-13(17-14(11)18)10-5-2-3-7-12(10)16/h2-3,5,7,9,11H,4,6,8H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 274.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117128250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).