5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid

C14H10F3NO4 — CID 127051886

IUPAC5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)cc(O)c1=O
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)9-3-1-2-8(4-9)5-18-6-10(13(21)22)12(20)11(19)7-18/h1-4,6-7,19H,5H2,(H,21,22)
InChIKeyXHKAGTTYSFTGBR-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.32
Rot. Bonds3

About 5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 127051886) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
PubChem CID127051886
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)cc(O)c1=O
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)9-3-1-2-8(4-9)5-18-6-10(13(21)22)12(20)11(19)7-18/h1-4,6-7,19H,5H2,(H,21,22)
InChIKeyXHKAGTTYSFTGBR-UHFFFAOYSA-N
XLogP2.32
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 58067537
5-Hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid
CID 58067757
5-Hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 58067514
5-Hydroxy-4-oxo-1-(4-phenylbutyl)pyridine-3-carboxylic acid
CID 58067648
5-Hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid
CID 58067661
5-Hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 58067669
1-Benzyl-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 58067708
1-[(4-Fluorophenyl)methyl]-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 58067778
1-[(4-Chlorophenyl)methyl]-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 127049694
5-Hydroxy-1-(1-naphthylmethyl)-4-oxo-pyridine-3-carboxylic acid
CID 127050678
1-[(4-Fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 127051511
1-[1-(4-Fluorophenyl)ethyl]-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 127051875

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid (CID 127051886) is 5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is XHKAGTTYSFTGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4/c15-14(16,17)9-3-1-2-8(4-9)5-18-6-10(13(21)22)12(20)11(19)7-18/h1-4,6-7,19H,5H2,(H,21,22).
What are the key properties of 5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 313.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 127051886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).