3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine

C17H11F3N2 — CID 86608095

IUPAC3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESC#Cc1cnc2c(C)cc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C17H11F3N2/c1-3-15-9-21-16-11(2)8-13(10-22(15)16)12-4-6-14(7-5-12)17(18,19)20/h1,4-10H,2H3
InChIKeyYUTJGRGADINCKQ-UHFFFAOYSA-N
MW300.28 g/mol
LogP4.31
Rot. Bonds1

About 3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine

3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 86608095) has the molecular formula C17H11F3N2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
PubChem CID86608095
Molecular FormulaC17H11F3N2
Molecular Weight300.28 g/mol
Exact Mass300.09
IUPAC Name3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESC#Cc1cnc2c(C)cc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C17H11F3N2/c1-3-15-9-21-16-11(2)8-13(10-22(15)16)12-4-6-14(7-5-12)17(18,19)20/h1,4-10H,2H3
InChIKeyYUTJGRGADINCKQ-UHFFFAOYSA-N
XLogP4.31
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (CID 86608095) is 3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is C#Cc1cnc2c(C)cc(-c3ccc(C(F)(F)F)cc3)cn12.
What is the InChIKey of 3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is YUTJGRGADINCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2/c1-3-15-9-21-16-11(2)8-13(10-22(15)16)12-4-6-14(7-5-12)17(18,19)20/h1,4-10H,2H3.
What are the key properties of 3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 300.28 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 86608095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).