6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid

C9H6F3NO4 — CID 18071384

IUPAC6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C1CC(C(F)(F)F)c2cc(C(=O)O)oc2N1
InChIInChI=1S/C9H6F3NO4/c10-9(11,12)4-2-6(14)13-7-3(4)1-5(17-7)8(15)16/h1,4H,2H2,(H,13,14)(H,15,16)
InChIKeyXUNNRAXQBKCCLE-UHFFFAOYSA-N
MW249.14 g/mol
LogP1.97
Rot. Bonds1

About 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid

6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 18071384) has the molecular formula C9H6F3NO4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid
PubChem CID18071384
Molecular FormulaC9H6F3NO4
Molecular Weight249.14 g/mol
Exact Mass249.02
IUPAC Name6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C1CC(C(F)(F)F)c2cc(C(=O)O)oc2N1
InChIInChI=1S/C9H6F3NO4/c10-9(11,12)4-2-6(14)13-7-3(4)1-5(17-7)8(15)16/h1,4H,2H2,(H,13,14)(H,15,16)
InChIKeyXUNNRAXQBKCCLE-UHFFFAOYSA-N
XLogP1.97
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]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

ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate
CID 2326123
6-oxo-4-(trifluoromethyl)-6H,7H-furo[2,3-b]pyridine-2-carboxylic acid
CID 25497594
Ethyl 4-chlorodifluoromethyl-6-oxo-6,7-dihydrofuro-[2,3-b]-pyridine-2-carboxylate
CID 91926927
Ethyl 4-difluoromethyl-6-oxo-6,7-dihydrofuro-[2,3-b]-pyridine-2-carboxylate
CID 91927001
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 6-oxo-4-(trifluoromethyl)-6H,7H-furo[2,3-b]pyridine-2-carboxylate
CID 165726735
methyl 4-butyl-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate
CID 52953282
3-Acetamido-2-benzofuran-1-carboxylic acid
CID 67529280
4-butyl-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylic acid
CID 68344891
5-[[2-(4-Methoxyphenyl)acetyl]amino]furan-2-carboxylic acid
CID 142464028
Methyl 7-methyl-6-oxo-4,5,6,7-tetrahydrofuro[2,3-b]pyridine-2-carboxylate
CID 45119794
4,5,6,7-Tetrahydrofuro[2,3-b]pyridine-2-carboxylic acid
CID 84013674
5-{[(Benzyloxy)carbonyl]amino}furan-2-carboxylic acid
CID 165893916

Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid (CID 18071384) is 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid is O=C1CC(C(F)(F)F)c2cc(C(=O)O)oc2N1.
What is the InChIKey of 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is XUNNRAXQBKCCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO4/c10-9(11,12)4-2-6(14)13-7-3(4)1-5(17-7)8(15)16/h1,4H,2H2,(H,13,14)(H,15,16).
What are the key properties of 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid?
6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 249.14 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 18071384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).