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

C9H4BrF3N2O2 — CID 79020466

IUPAC8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc2c(Br)cccn12
InChIInChI=1S/C9H4BrF3N2O2/c10-4-2-1-3-15-5(8(16)17)6(9(11,12)13)14-7(4)15/h1-3H,(H,16,17)
InChIKeyFWIJKHMZOZFXEZ-UHFFFAOYSA-N
MW309.04 g/mol
LogP2.81
Rot. Bonds1

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

8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 79020466) has the molecular formula C9H4BrF3N2O2 and a molecular weight of 309.04 g/mol. Its IUPAC name is 8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID79020466
Molecular FormulaC9H4BrF3N2O2
Molecular Weight309.04 g/mol
Exact Mass307.94
IUPAC Name8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc2c(Br)cccn12
InChIInChI=1S/C9H4BrF3N2O2/c10-4-2-1-3-15-5(8(16)17)6(9(11,12)13)14-7(4)15/h1-3H,(H,16,17)
InChIKeyFWIJKHMZOZFXEZ-UHFFFAOYSA-N
XLogP2.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.04
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 79020466) is 8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)nc2c(Br)cccn12.
What is the InChIKey of 8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is FWIJKHMZOZFXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2O2/c10-4-2-1-3-15-5(8(16)17)6(9(11,12)13)14-7(4)15/h1-3H,(H,16,17).
What are the key properties of 8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 309.04 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 79020466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).