1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone

C11H9F3N2O — CID 170088316

IUPAC1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCC(=O)c1nc(C)n2cc(C(F)(F)F)ccc12
InChIInChI=1S/C11H9F3N2O/c1-6(17)10-9-4-3-8(11(12,13)14)5-16(9)7(2)15-10/h3-5H,1-2H3
InChIKeyCEBCBUKPJRBQPN-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.86
Rot. Bonds1

About 1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone

1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone (PubChem CID 170088316) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
PubChem CID170088316
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCC(=O)c1nc(C)n2cc(C(F)(F)F)ccc12
InChIInChI=1S/C11H9F3N2O/c1-6(17)10-9-4-3-8(11(12,13)14)5-16(9)7(2)15-10/h3-5H,1-2H3
InChIKeyCEBCBUKPJRBQPN-UHFFFAOYSA-N
XLogP2.86
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]methyl]acetamide
CID 172515070
methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 46941700
3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063206
4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 172992944
3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84740352
1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 72547489
1-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 83876946
6-ethyl-N,N,3-trimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 112552046
1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83844047
1-(3,8-dimethylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 84661486
N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
CID 46886300
1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone
CID 117121465

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
The IUPAC name of 1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone (CID 170088316) is 1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone is CC(=O)c1nc(C)n2cc(C(F)(F)F)ccc12.
What is the InChIKey of 1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
The InChIKey is CEBCBUKPJRBQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6(17)10-9-4-3-8(11(12,13)14)5-16(9)7(2)15-10/h3-5H,1-2H3.
What are the key properties of 1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone has a molecular weight of 242.20 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone is sourced from PubChem (CID 170088316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).