ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C12H13F3N2O2 — CID 90757804

IUPACethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCCOC(=O)N1CCCc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C12H13F3N2O2/c1-2-19-11(18)17-7-3-4-8-9(17)5-6-10(16-8)12(13,14)15/h5-6H,2-4,7H2,1H3
InChIKeyOXEJHVSGIQMAIA-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.01
Rot. Bonds1

About ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 90757804) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID90757804
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Nameethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCCOC(=O)N1CCCc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C12H13F3N2O2/c1-2-19-11(18)17-7-3-4-8-9(17)5-6-10(16-8)12(13,14)15/h5-6H,2-4,7H2,1H3
InChIKeyOXEJHVSGIQMAIA-UHFFFAOYSA-N
XLogP3.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 90757804) is ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is CCOC(=O)N1CCCc2nc(C(F)(F)F)ccc21.
What is the InChIKey of ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is OXEJHVSGIQMAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-2-19-11(18)17-7-3-4-8-9(17)5-6-10(16-8)12(13,14)15/h5-6H,2-4,7H2,1H3.
What are the key properties of ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 274.24 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 90757804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).