3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

C17H10BrF3N2O — CID 72693716

IUPAC3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1cnc2ccc(Br)cn12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10BrF3N2O/c18-13-4-7-16-22-9-14(23(16)10-13)5-6-15(24)11-2-1-3-12(8-11)17(19,20)21/h1-10H
InChIKeyLZMFOAGSHUYNIE-UHFFFAOYSA-N
MW395.18 g/mol
LogP5.01
Rot. Bonds3

About 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one (PubChem CID 72693716) has the molecular formula C17H10BrF3N2O and a molecular weight of 395.18 g/mol. Its IUPAC name is 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
PubChem CID72693716
Molecular FormulaC17H10BrF3N2O
Molecular Weight395.18 g/mol
Exact Mass393.99
IUPAC Name3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1cnc2ccc(Br)cn12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10BrF3N2O/c18-13-4-7-16-22-9-14(23(16)10-13)5-6-15(24)11-2-1-3-12(8-11)17(19,20)21/h1-10H
InChIKeyLZMFOAGSHUYNIE-UHFFFAOYSA-N
XLogP5.01
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.18
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The IUPAC name of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one (CID 72693716) is 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The canonical SMILES for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is O=C(C=Cc1cnc2ccc(Br)cn12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The InChIKey is LZMFOAGSHUYNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF3N2O/c18-13-4-7-16-22-9-14(23(16)10-13)5-6-15(24)11-2-1-3-12(8-11)17(19,20)21/h1-10H.
What are the key properties of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one has a molecular weight of 395.18 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 72693716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).