3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid

C16H12BrFN2O2 — CID 150835438

IUPAC3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1cnc2cc(F)c(Br)cn12
InChIInChI=1S/C16H12BrFN2O2/c17-12-9-20-14(8-19-15(20)7-13(12)18)11(6-16(21)22)10-4-2-1-3-5-10/h1-5,7-9,11H,6H2,(H,21,22)
InChIKeyKMWKPKKVTIUFLA-UHFFFAOYSA-N
MW363.19 g/mol
LogP3.84
Rot. Bonds4

About 3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid

3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid (PubChem CID 150835438) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is 3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid
PubChem CID150835438
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Name3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1cnc2cc(F)c(Br)cn12
InChIInChI=1S/C16H12BrFN2O2/c17-12-9-20-14(8-19-15(20)7-13(12)18)11(6-16(21)22)10-4-2-1-3-5-10/h1-5,7-9,11H,6H2,(H,21,22)
InChIKeyKMWKPKKVTIUFLA-UHFFFAOYSA-N
XLogP3.84
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid (CID 150835438) is 3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)c1cnc2cc(F)c(Br)cn12.
What is the InChIKey of 3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid?
The InChIKey is KMWKPKKVTIUFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c17-12-9-20-14(8-19-15(20)7-13(12)18)11(6-16(21)22)10-4-2-1-3-5-10/h1-5,7-9,11H,6H2,(H,21,22).
What are the key properties of 3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid?
3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid has a molecular weight of 363.19 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 150835438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).