3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

C11H9F3N2O2 — CID 82530344

IUPAC3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESO=C(O)CCc1cnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-1-3-9-15-5-8(16(9)6-7)2-4-10(17)18/h1,3,5-6H,2,4H2,(H,17,18)
InChIKeyUWCPSCLZPRVXIN-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.37
Rot. Bonds3

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

3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 82530344) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID82530344
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESO=C(O)CCc1cnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-1-3-9-15-5-8(16(9)6-7)2-4-10(17)18/h1,3,5-6H,2,4H2,(H,17,18)
InChIKeyUWCPSCLZPRVXIN-UHFFFAOYSA-N
XLogP2.37
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 82530344) is 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is O=C(O)CCc1cnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is UWCPSCLZPRVXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)7-1-3-9-15-5-8(16(9)6-7)2-4-10(17)18/h1,3,5-6H,2,4H2,(H,17,18).
What are the key properties of 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 258.20 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 82530344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).