1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone

C10H7F3N2O — CID 105485174

IUPAC1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1ncc2cccc(C(F)(F)F)n12
InChIInChI=1S/C10H7F3N2O/c1-6(16)9-14-5-7-3-2-4-8(15(7)9)10(11,12)13/h2-5H,1H3
InChIKeyNFKHKLIALZOEFA-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.56
Rot. Bonds1

About 1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone

1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone (PubChem CID 105485174) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone
PubChem CID105485174
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1ncc2cccc(C(F)(F)F)n12
InChIInChI=1S/C10H7F3N2O/c1-6(16)9-14-5-7-3-2-4-8(15(7)9)10(11,12)13/h2-5H,1H3
InChIKeyNFKHKLIALZOEFA-UHFFFAOYSA-N
XLogP2.56
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Methyl-1H-benzimidazol-2-yl)ethanone
CID 799601
Imidazo(1,5-a)pyridine
CID 274090
3-Methyl-3H-imidazo[4,5-b]pyridine
CID 12299351
1-{2-Methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
CID 2735255
3-(Pyridin-2-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 9921462
5-[5-(N,N-dimethylcarbamoyl)pentyl]imidazo[1,5-a]pyridine hydrochloride
CID 20462506
1-((4,4-difluoropiperidin-1-yl)methyl)-N-(6-(trifluoromethyl)pyridin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide
CID 54585087
3-(4-fluorophenyl)-Imidazo[1,5-a]pyridine
CID 722307
2-(2-Methylimidazol-1-ylmethyl)pyridine
CID 10313324
2-Methylimidazo[1,2-a]pyridin-3-amine
CID 15533833
2-Methylimidazo[1,2-a]pyridine
CID 136742
(1E,4E,6E)-7-(1-pentan-2-ylimidazol-2-yl)-1-pyridin-2-ylhepta-1,4,6-trien-3-one
CID 137632596

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone (CID 105485174) is 1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone is CC(=O)c1ncc2cccc(C(F)(F)F)n12.
What is the InChIKey of 1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone?
The InChIKey is NFKHKLIALZOEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6(16)9-14-5-7-3-2-4-8(15(7)9)10(11,12)13/h2-5H,1H3.
What are the key properties of 1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone?
1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone has a molecular weight of 228.17 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 105485174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).