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

C9H4ClF3N2O2 — CID 3928817

IUPAC8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C9H4ClF3N2O2/c10-5-1-4(9(11,12)13)2-15-3-6(8(16)17)14-7(5)15/h1-3H,(H,16,17)
InChIKeyBNADDMQVCIRZBW-UHFFFAOYSA-N
MW264.59 g/mol
LogP2.70
Rot. Bonds1

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

8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 3928817) has the molecular formula C9H4ClF3N2O2 and a molecular weight of 264.59 g/mol. Its IUPAC name is 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID3928817
Molecular FormulaC9H4ClF3N2O2
Molecular Weight264.59 g/mol
Exact Mass263.99
IUPAC Name8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C9H4ClF3N2O2/c10-5-1-4(9(11,12)13)2-15-3-6(8(16)17)14-7(5)15/h1-3H,(H,16,17)
InChIKeyBNADDMQVCIRZBW-UHFFFAOYSA-N
XLogP2.70
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 3928817) is 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.
What is the InChIKey of 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is BNADDMQVCIRZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O2/c10-5-1-4(9(11,12)13)2-15-3-6(8(16)17)14-7(5)15/h1-3H,(H,16,17).
What are the key properties of 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 264.59 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 3928817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).