2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid

C21H15F3N2O6 — CID 169406334

IUPAC2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2OCc2cccc(C(F)(F)F)c2)c1C(=O)O
InChIInChI=1S/C21H15F3N2O6/c22-21(23,24)11-5-3-4-10(8-11)9-32-13-7-2-1-6-12(13)14-15(19(28)29)17(25)26-18(27)16(14)20(30)31/h1-8H,9H2,(H,28,29)(H,30,31)(H3,25,26,27)
InChIKeyLTJAURXMFCZOCK-UHFFFAOYSA-N
MW448.35 g/mol
LogP3.62
Rot. Bonds6

About 2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid

2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406334) has the molecular formula C21H15F3N2O6 and a molecular weight of 448.35 g/mol. Its IUPAC name is 2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406334
Molecular FormulaC21H15F3N2O6
Molecular Weight448.35 g/mol
Exact Mass448.09
IUPAC Name2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2OCc2cccc(C(F)(F)F)c2)c1C(=O)O
InChIInChI=1S/C21H15F3N2O6/c22-21(23,24)11-5-3-4-10(8-11)9-32-13-7-2-1-6-12(13)14-15(19(28)29)17(25)26-18(27)16(14)20(30)31/h1-8H,9H2,(H,28,29)(H,30,31)(H3,25,26,27)
InChIKeyLTJAURXMFCZOCK-UHFFFAOYSA-N
XLogP3.62
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406723
2-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406089
2-amino-4-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406354
2-amino-6-oxo-4-[2-(3-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406099
2-amino-4-[3,4-bis(phenylmethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405035
2-amino-4-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406359
2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169407725
2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407952
2-amino-4-(3,5-difluoro-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406273
2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405540
2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2-amino-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406396

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid (CID 169406334) is 2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2OCc2cccc(C(F)(F)F)c2)c1C(=O)O.
What is the InChIKey of 2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is LTJAURXMFCZOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O6/c22-21(23,24)11-5-3-4-10(8-11)9-32-13-7-2-1-6-12(13)14-15(19(28)29)17(25)26-18(27)16(14)20(30)31/h1-8H,9H2,(H,28,29)(H,30,31)(H3,25,26,27).
What are the key properties of 2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid?
2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 448.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).