3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid

C17H15FN2O2 — CID 42879894

IUPAC3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESCc1ccc2ncc(C(CC(=O)O)c3ccccc3F)n2c1
InChIInChI=1S/C17H15FN2O2/c1-11-6-7-16-19-9-15(20(16)10-11)13(8-17(21)22)12-4-2-3-5-14(12)18/h2-7,9-10,13H,8H2,1H3,(H,21,22)
InChIKeyQXXXIVHAXKTWLY-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.39
Rot. Bonds4

About 3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid

3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid (PubChem CID 42879894) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
PubChem CID42879894
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESCc1ccc2ncc(C(CC(=O)O)c3ccccc3F)n2c1
InChIInChI=1S/C17H15FN2O2/c1-11-6-7-16-19-9-15(20(16)10-11)13(8-17(21)22)12-4-2-3-5-14(12)18/h2-7,9-10,13H,8H2,1H3,(H,21,22)
InChIKeyQXXXIVHAXKTWLY-UHFFFAOYSA-N
XLogP3.39
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid (CID 42879894) is 3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid is Cc1ccc2ncc(C(CC(=O)O)c3ccccc3F)n2c1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The InChIKey is QXXXIVHAXKTWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-6-7-16-19-9-15(20(16)10-11)13(8-17(21)22)12-4-2-3-5-14(12)18/h2-7,9-10,13H,8H2,1H3,(H,21,22).
What are the key properties of 3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid has a molecular weight of 298.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 42879894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).