4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one

C17H10F6N2O2 — CID 54740931

IUPAC4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one
SMILESO=c1c(-c2ccccc2C(F)(F)F)c(O)c2ncccc2n1CC(F)(F)F
InChIInChI=1S/C17H10F6N2O2/c18-16(19,20)8-25-11-6-3-7-24-13(11)14(26)12(15(25)27)9-4-1-2-5-10(9)17(21,22)23/h1-7,26H,8H2
InChIKeyLVCCCJUORXDZSO-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.35
Rot. Bonds2

About 4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one

4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one (PubChem CID 54740931) has the molecular formula C17H10F6N2O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one
PubChem CID54740931
Molecular FormulaC17H10F6N2O2
Molecular Weight388.27 g/mol
Exact Mass388.06
IUPAC Name4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one
SMILESO=c1c(-c2ccccc2C(F)(F)F)c(O)c2ncccc2n1CC(F)(F)F
InChIInChI=1S/C17H10F6N2O2/c18-16(19,20)8-25-11-6-3-7-24-13(11)14(26)12(15(25)27)9-4-1-2-5-10(9)17(21,22)23/h1-7,26H,8H2
InChIKeyLVCCCJUORXDZSO-UHFFFAOYSA-N
XLogP4.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(4-fluorophenyl)methyl]-4-hydroxy-N,1-dimethyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729990
N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882896
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-isopropyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57395697
N-(4-fluorobenzyl)4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690727
N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729991
7-[(4-Fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54730001
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54730002
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide
CID 69482039
N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54752120
1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57390406
7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 57401610
US10239838, Example 18
CID 121413976

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one (CID 54740931) is 4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one is O=c1c(-c2ccccc2C(F)(F)F)c(O)c2ncccc2n1CC(F)(F)F.
What is the InChIKey of 4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one?
The InChIKey is LVCCCJUORXDZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O2/c18-16(19,20)8-25-11-6-3-7-24-13(11)14(26)12(15(25)27)9-4-1-2-5-10(9)17(21,22)23/h1-7,26H,8H2.
What are the key properties of 4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one?
4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one has a molecular weight of 388.27 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)phenyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 54740931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).