ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate

C9H9F3N2O3 — CID 171028937

IUPACethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(N)c(OC(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O3/c1-2-16-8(15)6-4-3-5(13)7(14-6)17-9(10,11)12/h3-4H,2,13H2,1H3
InChIKeyTYGXRUZMYMDTLX-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.74
Rot. Bonds3

About ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 171028937) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID171028937
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Nameethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(N)c(OC(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O3/c1-2-16-8(15)6-4-3-5(13)7(14-6)17-9(10,11)12/h3-4H,2,13H2,1H3
InChIKeyTYGXRUZMYMDTLX-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate (CID 171028937) is ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1ccc(N)c(OC(F)(F)F)n1.
What is the InChIKey of ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is TYGXRUZMYMDTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-2-16-8(15)6-4-3-5(13)7(14-6)17-9(10,11)12/h3-4H,2,13H2,1H3.
What are the key properties of ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-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 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 171028937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).