2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone

C9H5F3N2O — CID 5081581

IUPAC2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone
SMILESO=C(c1cnc2ccccn12)C(F)(F)F
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)8(15)6-5-13-7-3-1-2-4-14(6)7/h1-5H
InChIKeyIJDOVZPRNULQHU-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.08
Rot. Bonds1

About 2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone

2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone (PubChem CID 5081581) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone
PubChem CID5081581
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone
SMILESO=C(c1cnc2ccccn12)C(F)(F)F
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)8(15)6-5-13-7-3-1-2-4-14(6)7/h1-5H
InChIKeyIJDOVZPRNULQHU-UHFFFAOYSA-N
XLogP2.08
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone (CID 5081581) is 2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone is O=C(c1cnc2ccccn12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone?
The InChIKey is IJDOVZPRNULQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)8(15)6-5-13-7-3-1-2-4-14(6)7/h1-5H.
What are the key properties of 2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone?
2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone has a molecular weight of 214.15 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-imidazo[1,2-a]pyridin-3-ylethanone is sourced from PubChem (CID 5081581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).