ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate

C9H9F3N2O3 — CID 171028932

IUPACethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OC(F)(F)F)nc1N
InChIInChI=1S/C9H9F3N2O3/c1-2-16-8(15)5-3-4-6(14-7(5)13)17-9(10,11)12/h3-4H,2H2,1H3,(H2,13,14)
InChIKeyJKATUXTVUCLQJV-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.74
Rot. Bonds3

About ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate

ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 171028932) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID171028932
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Nameethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OC(F)(F)F)nc1N
InChIInChI=1S/C9H9F3N2O3/c1-2-16-8(15)5-3-4-6(14-7(5)13)17-9(10,11)12/h3-4H,2H2,1H3,(H2,13,14)
InChIKeyJKATUXTVUCLQJV-UHFFFAOYSA-N
XLogP1.74
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-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

ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
ethyl 2-(4-cyanophenoxy)-6-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 67605757
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134679532
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 5-bromo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 171029018
ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate
CID 134682047
ethyl 3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667861
ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028937
ethyl 6-amino-2-fluoropyridine-3-carboxylate
CID 118545226

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate (CID 171028932) is ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1ccc(OC(F)(F)F)nc1N.
What is the InChIKey of ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is JKATUXTVUCLQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-2-16-8(15)5-3-4-6(14-7(5)13)17-9(10,11)12/h3-4H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 250.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 171028932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).