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

C10H6BrF3N2O — CID 130248631

IUPAC1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCC(=O)c1nc(C(F)(F)F)n2cc(Br)ccc12
InChIInChI=1S/C10H6BrF3N2O/c1-5(17)8-7-3-2-6(11)4-16(7)9(15-8)10(12,13)14/h2-4H,1H3
InChIKeyKFZOKCAMZYRIJO-UHFFFAOYSA-N
MW307.07 g/mol
LogP3.32
Rot. Bonds1

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

1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone (PubChem CID 130248631) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is 1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
PubChem CID130248631
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC Name1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCC(=O)c1nc(C(F)(F)F)n2cc(Br)ccc12
InChIInChI=1S/C10H6BrF3N2O/c1-5(17)8-7-3-2-6(11)4-16(7)9(15-8)10(12,13)14/h2-4H,1H3
InChIKeyKFZOKCAMZYRIJO-UHFFFAOYSA-N
XLogP3.32
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
The IUPAC name of 1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone (CID 130248631) is 1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone is CC(=O)c1nc(C(F)(F)F)n2cc(Br)ccc12.
What is the InChIKey of 1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
The InChIKey is KFZOKCAMZYRIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c1-5(17)8-7-3-2-6(11)4-16(7)9(15-8)10(12,13)14/h2-4H,1H3.
What are the key properties of 1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone?
1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone has a molecular weight of 307.07 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone is sourced from PubChem (CID 130248631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).