2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile

C17H14FN3O — CID 82060561

IUPAC2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCCOc1ccc(-c2nc3ccc(F)cn3c2CC#N)cc1
InChIInChI=1S/C17H14FN3O/c1-2-22-14-6-3-12(4-7-14)17-15(9-10-19)21-11-13(18)5-8-16(21)20-17/h3-8,11H,2,9H2,1H3
InChIKeyQCQJFPRJTABHQK-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.61
Rot. Bonds4

About 2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 82060561) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID82060561
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCCOc1ccc(-c2nc3ccc(F)cn3c2CC#N)cc1
InChIInChI=1S/C17H14FN3O/c1-2-22-14-6-3-12(4-7-14)17-15(9-10-19)21-11-13(18)5-8-16(21)20-17/h3-8,11H,2,9H2,1H3
InChIKeyQCQJFPRJTABHQK-UHFFFAOYSA-N
XLogP3.61
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 82060561) is 2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile is CCOc1ccc(-c2nc3ccc(F)cn3c2CC#N)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is QCQJFPRJTABHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-2-22-14-6-3-12(4-7-14)17-15(9-10-19)21-11-13(18)5-8-16(21)20-17/h3-8,11H,2,9H2,1H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 295.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 82060561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).