3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C13H8ClF3N2O3 — CID 67085065

IUPAC3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(C3C=CCO3)cn2c1Cl
InChIInChI=1S/C13H8ClF3N2O3/c14-10-9(12(20)21)18-11-7(13(15,16)17)4-6(5-19(10)11)8-2-1-3-22-8/h1-2,4-5,8H,3H2,(H,20,21)
InChIKeyMWDPQFUSDCXGGC-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.33
Rot. Bonds2

About 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 67085065) has the molecular formula C13H8ClF3N2O3 and a molecular weight of 332.67 g/mol. Its IUPAC name is 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID67085065
Molecular FormulaC13H8ClF3N2O3
Molecular Weight332.67 g/mol
Exact Mass332.02
IUPAC Name3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(C3C=CCO3)cn2c1Cl
InChIInChI=1S/C13H8ClF3N2O3/c14-10-9(12(20)21)18-11-7(13(15,16)17)4-6(5-19(10)11)8-2-1-3-22-8/h1-2,4-5,8H,3H2,(H,20,21)
InChIKeyMWDPQFUSDCXGGC-UHFFFAOYSA-N
XLogP3.33
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(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 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 67085065) is 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2c(C(F)(F)F)cc(C3C=CCO3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is MWDPQFUSDCXGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O3/c14-10-9(12(20)21)18-11-7(13(15,16)17)4-6(5-19(10)11)8-2-1-3-22-8/h1-2,4-5,8H,3H2,(H,20,21).
What are the key properties of 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 332.67 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 67085065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).