ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate

C11H8F3NO4 — CID 2326123

IUPACethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2o1
InChIInChI=1S/C11H8F3NO4/c1-2-18-10(17)7-3-5-6(11(12,13)14)4-8(16)15-9(5)19-7/h3-4H,2H2,1H3,(H,15,16)
InChIKeyXYLQCXXFMRCQFH-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.32
Rot. Bonds2

About ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate

ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate (PubChem CID 2326123) has the molecular formula C11H8F3NO4 and a molecular weight of 275.18 g/mol. Its IUPAC name is ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate
PubChem CID2326123
Molecular FormulaC11H8F3NO4
Molecular Weight275.18 g/mol
Exact Mass275.04
IUPAC Nameethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2o1
InChIInChI=1S/C11H8F3NO4/c1-2-18-10(17)7-3-5-6(11(12,13)14)4-8(16)15-9(5)19-7/h3-4H,2H2,1H3,(H,15,16)
InChIKeyXYLQCXXFMRCQFH-UHFFFAOYSA-N
XLogP2.32
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate 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 ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate (CID 2326123) is ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2o1.
What is the InChIKey of ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate?
The InChIKey is XYLQCXXFMRCQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO4/c1-2-18-10(17)7-3-5-6(11(12,13)14)4-8(16)15-9(5)19-7/h3-4H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate?
ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate has a molecular weight of 275.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 2326123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).