ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate

C9H9F3N2O2 — CID 118704253

IUPACethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C(F)(F)F)c1N
InChIInChI=1S/C9H9F3N2O2/c1-2-16-8(15)5-3-4-14-7(6(5)13)9(10,11)12/h3-4H,2,13H2,1H3
InChIKeyWFAOEXYMJVZYOS-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.86
Rot. Bonds2

About ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate

ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 118704253) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID118704253
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Nameethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C(F)(F)F)c1N
InChIInChI=1S/C9H9F3N2O2/c1-2-16-8(15)5-3-4-14-7(6(5)13)9(10,11)12/h3-4H,2,13H2,1H3
InChIKeyWFAOEXYMJVZYOS-UHFFFAOYSA-N
XLogP1.86
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-nitro-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133096663
ethyl 2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylate
CID 118704262
ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
CID 82006675
ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098143
ethyl 4-nitro-2-(trifluoromethyl)pyridine-3-carboxylate
CID 133096769
ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 115942367
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386492
ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
CID 106666343
3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 136574314
ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 134683429

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate (CID 118704253) is ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate is CCOC(=O)c1ccnc(C(F)(F)F)c1N.
What is the InChIKey of ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is WFAOEXYMJVZYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-2-16-8(15)5-3-4-14-7(6(5)13)9(10,11)12/h3-4H,2,13H2,1H3.
What are the key properties of ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate?
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 234.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 118704253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).