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

C13H6ClF3N2O3 — CID 59443815

IUPAC3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl
InChIInChI=1S/C13H6ClF3N2O3/c14-10-9(12(20)21)18-11-8(13(15,16)17)3-7(4-19(10)11)6-1-2-22-5-6/h1-5H,(H,20,21)
InChIKeyQHPKZXMLFIRROM-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.96
Rot. Bonds2

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

3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 59443815) has the molecular formula C13H6ClF3N2O3 and a molecular weight of 330.65 g/mol. Its IUPAC name is 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID59443815
Molecular FormulaC13H6ClF3N2O3
Molecular Weight330.65 g/mol
Exact Mass330.00
IUPAC Name3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl
InChIInChI=1S/C13H6ClF3N2O3/c14-10-9(12(20)21)18-11-8(13(15,16)17)3-7(4-19(10)11)6-1-2-22-5-6/h1-5H,(H,20,21)
InChIKeyQHPKZXMLFIRROM-UHFFFAOYSA-N
XLogP3.96
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-(furan-3-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

Related Compounds

CID 71449811
CID 71449811
CID 46870533
CID 46870533
CID 46870628
CID 46870628
CID 46870987
CID 46870987
CID 46870989
CID 46870989
CID 51356732
CID 51356732
CID 51357006
CID 51357006
CID 57774684
CID 57774684
CID 57774713
CID 57774713
CID 57774909
CID 57774909
CID 46870531
CID 46870531
CID 51357005
CID 51357005

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 59443815) is 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is QHPKZXMLFIRROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O3/c14-10-9(12(20)21)18-11-8(13(15,16)17)3-7(4-19(10)11)6-1-2-22-5-6/h1-5H,(H,20,21).
What are the key properties of 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 330.65 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 59443815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).