2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one

C12H13F3N2O2 — CID 19771695

IUPAC2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
SMILESCCc1cc(=O)c2c([nH]1)CCN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C12H13F3N2O2/c1-2-7-5-10(18)8-6-17(4-3-9(8)16-7)11(19)12(13,14)15/h5H,2-4,6H2,1H3,(H,16,18)
InChIKeyRXFWPQDZVQFYTA-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.38
Rot. Bonds1

About 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one

2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one (PubChem CID 19771695) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
PubChem CID19771695
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
SMILESCCc1cc(=O)c2c([nH]1)CCN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C12H13F3N2O2/c1-2-7-5-10(18)8-6-17(4-3-9(8)16-7)11(19)12(13,14)15/h5H,2-4,6H2,1H3,(H,16,18)
InChIKeyRXFWPQDZVQFYTA-UHFFFAOYSA-N
XLogP1.38
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one with MolForge

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Related Compounds

N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444317
2-ethyl-5,6,7,8-tetrahydro-5-trifluoroacetyl-1,5-naphthyridin-4-(1H)-one
CID 19771738
2-butyl-1-(2-fluoroethyl)-8H-1,6-naphthyridine-4,5,7-trione
CID 58456577
2-butyl-1-(2,2-difluoroethyl)-8H-1,6-naphthyridine-4,5,7-trione
CID 58456583
1-butyl-2-(5,5-difluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione
CID 58456587
2-butyl-1-(fluoromethyl)-8H-1,6-naphthyridine-4,5,7-trione
CID 58456593
1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione
CID 58456603
2-butyl-1-(difluoromethyl)-8H-1,6-naphthyridine-4,5,7-trione
CID 58456607
N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544263
N-[(6-fluoro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544287
2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide
CID 118544324
N-[(6-fluoro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544380

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The IUPAC name of 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one (CID 19771695) is 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The canonical SMILES for 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one is CCc1cc(=O)c2c([nH]1)CCN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The InChIKey is RXFWPQDZVQFYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-2-7-5-10(18)8-6-17(4-3-9(8)16-7)11(19)12(13,14)15/h5H,2-4,6H2,1H3,(H,16,18).
What are the key properties of 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one has a molecular weight of 274.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2,2,2-trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one is sourced from PubChem (CID 19771695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).