3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid

C10H9F3N2O5 — CID 79795216

IUPAC3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(NC(=O)c1cc(O)[nH]c(=O)c1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O5/c1-9(8(19)20,10(11,12)13)15-7(18)4-2-5(16)14-6(17)3-4/h2-3H,1H3,(H,15,18)(H,19,20)(H2,14,16,17)
InChIKeyLOEIUIKSCVDWIY-UHFFFAOYSA-N
MW294.19 g/mol
LogP0.22
Rot. Bonds3

About 3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid

3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 79795216) has the molecular formula C10H9F3N2O5 and a molecular weight of 294.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID79795216
Molecular FormulaC10H9F3N2O5
Molecular Weight294.19 g/mol
Exact Mass294.05
IUPAC Name3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(NC(=O)c1cc(O)[nH]c(=O)c1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O5/c1-9(8(19)20,10(11,12)13)15-7(18)4-2-5(16)14-6(17)3-4/h2-3H,1H3,(H,15,18)(H,19,20)(H2,14,16,17)
InChIKeyLOEIUIKSCVDWIY-UHFFFAOYSA-N
XLogP0.22
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid (CID 79795216) is 3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid is CC(NC(=O)c1cc(O)[nH]c(=O)c1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is LOEIUIKSCVDWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O5/c1-9(8(19)20,10(11,12)13)15-7(18)4-2-5(16)14-6(17)3-4/h2-3H,1H3,(H,15,18)(H,19,20)(H2,14,16,17).
What are the key properties of 3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 294.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79795216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).