6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C21H12F4N2O2 — CID 68745764

IUPAC6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1-c1ccccc1
InChIInChI=1S/C21H12F4N2O2/c22-15-8-4-7-13(9-15)14-10-16(21(23,24)25)19-26-17(20(28)29)18(27(19)11-14)12-5-2-1-3-6-12/h1-11H,(H,28,29)
InChIKeyIUGRKVVBXYXRKK-UHFFFAOYSA-N
MW400.33 g/mol
LogP5.52
Rot. Bonds3

About 6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 68745764) has the molecular formula C21H12F4N2O2 and a molecular weight of 400.33 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID68745764
Molecular FormulaC21H12F4N2O2
Molecular Weight400.33 g/mol
Exact Mass400.08
IUPAC Name6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1-c1ccccc1
InChIInChI=1S/C21H12F4N2O2/c22-15-8-4-7-13(9-15)14-10-16(21(23,24)25)19-26-17(20(28)29)18(27(19)11-14)12-5-2-1-3-6-12/h1-11H,(H,28,29)
InChIKeyIUGRKVVBXYXRKK-UHFFFAOYSA-N
XLogP5.52
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.33
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 68745764) is 6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1-c1ccccc1.
What is the InChIKey of 6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is IUGRKVVBXYXRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N2O2/c22-15-8-4-7-13(9-15)14-10-16(21(23,24)25)19-26-17(20(28)29)18(27(19)11-14)12-5-2-1-3-6-12/h1-11H,(H,28,29).
What are the key properties of 6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 400.33 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68745764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).