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

C12H13F3N2O2 — CID 19771738

IUPAC2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one
SMILESCCc1cc(=O)c2c([nH]1)CCCN2C(=O)C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-2-7-6-9(18)10-8(16-7)4-3-5-17(10)11(19)12(13,14)15/h6H,2-5H2,1H3,(H,16,18)
InChIKeyPTUCZGOFDHSUMV-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.78
Rot. Bonds1

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

2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one (PubChem CID 19771738) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one
PubChem CID19771738
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one
SMILESCCc1cc(=O)c2c([nH]1)CCCN2C(=O)C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-2-7-6-9(18)10-8(16-7)4-3-5-17(10)11(19)12(13,14)15/h6H,2-5H2,1H3,(H,16,18)
InChIKeyPTUCZGOFDHSUMV-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one?
The IUPAC name of 2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one (CID 19771738) is 2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one.
What is the SMILES notation for 2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one?
The canonical SMILES for 2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one is CCc1cc(=O)c2c([nH]1)CCCN2C(=O)C(F)(F)F.
What is the InChIKey of 2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one?
The InChIKey is PTUCZGOFDHSUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-2-7-6-9(18)10-8(16-7)4-3-5-17(10)11(19)12(13,14)15/h6H,2-5H2,1H3,(H,16,18).
What are the key properties of 2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one?
2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one has a molecular weight of 274.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2,2,2-trifluoroacetyl)-1,6,7,8-tetrahydro-1,5-naphthyridin-4-one is sourced from PubChem (CID 19771738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).