1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C14H12FNO4 — CID 127051511

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(Cn2cc(O)c(=O)c(C(=O)O)c2)ccc1F
InChIInChI=1S/C14H12FNO4/c1-8-4-9(2-3-11(8)15)5-16-6-10(14(19)20)13(18)12(17)7-16/h2-4,6-7,17H,5H2,1H3,(H,19,20)
InChIKeyCLUIXFSWMOVREA-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.75
Rot. Bonds3

About 1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 127051511) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID127051511
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(Cn2cc(O)c(=O)c(C(=O)O)c2)ccc1F
InChIInChI=1S/C14H12FNO4/c1-8-4-9(2-3-11(8)15)5-16-6-10(14(19)20)13(18)12(17)7-16/h2-4,6-7,17H,5H2,1H3,(H,19,20)
InChIKeyCLUIXFSWMOVREA-UHFFFAOYSA-N
XLogP1.75
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.75
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
5-Hydroxy-1-[1-(1-naphthyl)ethyl]-4-oxo-pyridine-3-carboxylic acid
CID 127050679
1-[1-(4-Fluorophenyl)ethyl]-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 127051875

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 127051511) is 1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is Cc1cc(Cn2cc(O)c(=O)c(C(=O)O)c2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is CLUIXFSWMOVREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-8-4-9(2-3-11(8)15)5-16-6-10(14(19)20)13(18)12(17)7-16/h2-4,6-7,17H,5H2,1H3,(H,19,20).
What are the key properties of 1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 127051511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).