4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one

C14H7F3N2O2 — CID 91504246

IUPAC4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2cccnc2c(O)c1-c1c(F)cc(F)cc1F
InChIInChI=1S/C14H7F3N2O2/c15-6-4-7(16)10(8(17)5-6)11-13(20)12-9(19-14(11)21)2-1-3-18-12/h1-5H,(H2,19,20,21)
InChIKeyLJHUZVBZDBJTFT-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.71
Rot. Bonds1

About 4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one

4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one (PubChem CID 91504246) has the molecular formula C14H7F3N2O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one
PubChem CID91504246
Molecular FormulaC14H7F3N2O2
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2cccnc2c(O)c1-c1c(F)cc(F)cc1F
InChIInChI=1S/C14H7F3N2O2/c15-6-4-7(16)10(8(17)5-6)11-13(20)12-9(19-14(11)21)2-1-3-18-12/h1-5H,(H2,19,20,21)
InChIKeyLJHUZVBZDBJTFT-UHFFFAOYSA-N
XLogP2.71
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one (CID 91504246) is 4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one is O=c1[nH]c2cccnc2c(O)c1-c1c(F)cc(F)cc1F.
What is the InChIKey of 4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one?
The InChIKey is LJHUZVBZDBJTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2/c15-6-4-7(16)10(8(17)5-6)11-13(20)12-9(19-14(11)21)2-1-3-18-12/h1-5H,(H2,19,20,21).
What are the key properties of 4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one?
4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one has a molecular weight of 292.22 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2,4,6-trifluorophenyl)-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 91504246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).