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

C9H4F3NO4 — CID 25497594

IUPAC6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2o1
InChIInChI=1S/C9H4F3NO4/c10-9(11,12)4-2-6(14)13-7-3(4)1-5(17-7)8(15)16/h1-2H,(H,13,14)(H,15,16)
InChIKeyJUQDBOUNSCDHRS-UHFFFAOYSA-N
MW247.13 g/mol
LogP1.84
Rot. Bonds1

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

6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 25497594) has the molecular formula C9H4F3NO4 and a molecular weight of 247.13 g/mol. Its IUPAC name is 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid
PubChem CID25497594
Molecular FormulaC9H4F3NO4
Molecular Weight247.13 g/mol
Exact Mass247.01
IUPAC Name6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2o1
InChIInChI=1S/C9H4F3NO4/c10-9(11,12)4-2-6(14)13-7-3(4)1-5(17-7)8(15)16/h1-2H,(H,13,14)(H,15,16)
InChIKeyJUQDBOUNSCDHRS-UHFFFAOYSA-N
XLogP1.84
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
CID 3452219
Methyl 5-benzamidofuran-2-carboxylate
CID 2767872
5-{[(Tert-butoxy)carbonyl]amino}furan-2-carboxylic acid
CID 54775310
ethyl 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate
CID 2326123
Methyl 5-[(4-fluorobenzoyl)amino]-2-furoate
CID 2767873
Stk367443
CID 3798771
Ethyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
CID 21814787
5-[(3,4-Difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid
CID 22320625
6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-furo[2,3-b]pyridine-2-carboxylic acid
CID 18071384
5-[2-(3-Fluorophenyl)ethylamino]furan-2-carboxylic acid
CID 55049845
5-[2-(Trifluoromethyl)anilino]furan-2-carboxylic acid
CID 55050131
5-(2,5-Difluoroanilino)furan-2-carboxylic acid
CID 55050182

Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid (CID 25497594) is 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2o1.
What is the InChIKey of 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is JUQDBOUNSCDHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO4/c10-9(11,12)4-2-6(14)13-7-3(4)1-5(17-7)8(15)16/h1-2H,(H,13,14)(H,15,16).
What are the key properties of 6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid?
6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 247.13 g/mol, XLogP of 1.84, 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)-7H-furo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 25497594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).