4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine

C11H10F3N3 — CID 167449119

IUPAC4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine
SMILESFC(F)(F)Cc1ncc(Cc2ccncc2)[nH]1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)6-10-16-7-9(17-10)5-8-1-3-15-4-2-8/h1-4,7H,5-6H2,(H,16,17)
InChIKeyWRBMTQHZKNAJIY-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.50
Rot. Bonds3

About 4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine

4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine (PubChem CID 167449119) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine
PubChem CID167449119
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine
SMILESFC(F)(F)Cc1ncc(Cc2ccncc2)[nH]1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)6-10-16-7-9(17-10)5-8-1-3-15-4-2-8/h1-4,7H,5-6H2,(H,16,17)
InChIKeyWRBMTQHZKNAJIY-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine?
The IUPAC name of 4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine (CID 167449119) is 4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine is FC(F)(F)Cc1ncc(Cc2ccncc2)[nH]1.
What is the InChIKey of 4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine?
The InChIKey is WRBMTQHZKNAJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)6-10-16-7-9(17-10)5-8-1-3-15-4-2-8/h1-4,7H,5-6H2,(H,16,17).
What are the key properties of 4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine?
4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine has a molecular weight of 241.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine is sourced from PubChem (CID 167449119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).