5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile

C17H10F3N3O — CID 168825414

IUPAC5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESC=Cc1c(C#N)cc(-c2ccc(OC(F)(F)F)cc2)c2nccn12
InChIInChI=1S/C17H10F3N3O/c1-2-15-12(10-21)9-14(16-22-7-8-23(15)16)11-3-5-13(6-4-11)24-17(18,19)20/h2-9H,1H2
InChIKeyHDUTWAZRINUBTJ-UHFFFAOYSA-N
MW329.28 g/mol
LogP4.41
Rot. Bonds3

About 5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile

5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 168825414) has the molecular formula C17H10F3N3O and a molecular weight of 329.28 g/mol. Its IUPAC name is 5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID168825414
Molecular FormulaC17H10F3N3O
Molecular Weight329.28 g/mol
Exact Mass329.08
IUPAC Name5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESC=Cc1c(C#N)cc(-c2ccc(OC(F)(F)F)cc2)c2nccn12
InChIInChI=1S/C17H10F3N3O/c1-2-15-12(10-21)9-14(16-22-7-8-23(15)16)11-3-5-13(6-4-11)24-17(18,19)20/h2-9H,1H2
InChIKeyHDUTWAZRINUBTJ-UHFFFAOYSA-N
XLogP4.41
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 168825414) is 5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile is C=Cc1c(C#N)cc(-c2ccc(OC(F)(F)F)cc2)c2nccn12.
What is the InChIKey of 5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is HDUTWAZRINUBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O/c1-2-15-12(10-21)9-14(16-22-7-8-23(15)16)11-3-5-13(6-4-11)24-17(18,19)20/h2-9H,1H2.
What are the key properties of 5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile?
5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 329.28 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 168825414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).