1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one

C16H12BrFN2O — CID 159537521

IUPAC1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
SMILESO=C(Cc1ccc(Br)c(F)c1)Cc1cccc2nccn12
InChIInChI=1S/C16H12BrFN2O/c17-14-5-4-11(9-15(14)18)8-13(21)10-12-2-1-3-16-19-6-7-20(12)16/h1-7,9H,8,10H2
InChIKeyMDTXPJMIUJQDCB-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one

1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one (PubChem CID 159537521) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
PubChem CID159537521
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
SMILESO=C(Cc1ccc(Br)c(F)c1)Cc1cccc2nccn12
InChIInChI=1S/C16H12BrFN2O/c17-14-5-4-11(9-15(14)18)8-13(21)10-12-2-1-3-16-19-6-7-20(12)16/h1-7,9H,8,10H2
InChIKeyMDTXPJMIUJQDCB-UHFFFAOYSA-N
XLogP3.59
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one (CID 159537521) is 1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one is O=C(Cc1ccc(Br)c(F)c1)Cc1cccc2nccn12.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
The InChIKey is MDTXPJMIUJQDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c17-14-5-4-11(9-15(14)18)8-13(21)10-12-2-1-3-16-19-6-7-20(12)16/h1-7,9H,8,10H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one has a molecular weight of 347.19 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one is sourced from PubChem (CID 159537521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).