ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate

C11H9F3N2O3 — CID 139221099

IUPACethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nc(C(F)(F)F)ccc2c1N
InChIInChI=1S/C11H9F3N2O3/c1-2-18-10(17)8-7(15)5-3-4-6(11(12,13)14)16-9(5)19-8/h3-4H,2,15H2,1H3
InChIKeyLAAJOWDYURRPRJ-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.61
Rot. Bonds2

About ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate (PubChem CID 139221099) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
PubChem CID139221099
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Nameethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nc(C(F)(F)F)ccc2c1N
InChIInChI=1S/C11H9F3N2O3/c1-2-18-10(17)8-7(15)5-3-4-6(11(12,13)14)16-9(5)19-8/h3-4H,2,15H2,1H3
InChIKeyLAAJOWDYURRPRJ-UHFFFAOYSA-N
XLogP2.61
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-amino-6-(trifluoromethyl)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

Related Compounds

3-amino-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
CID 127029532
ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 19791830
ethyl 3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
CID 5140172
1-(3-amino-6-methylfuro[2,3-b]pyridin-2-yl)ethanone
CID 59928316
ethyl 3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridine-2-carboxylate
CID 10479445
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
CID 23563116
ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 166095197
ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523887
ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
CID 66545150
ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199500
ethyl 1-(4-chlorophenyl)-4-hydroxy-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 175617125
ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199462

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate (CID 139221099) is ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1oc2nc(C(F)(F)F)ccc2c1N.
What is the InChIKey of ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate?
The InChIKey is LAAJOWDYURRPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c1-2-18-10(17)8-7(15)5-3-4-6(11(12,13)14)16-9(5)19-8/h3-4H,2,15H2,1H3.
What are the key properties of ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate has a molecular weight of 274.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 139221099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).