2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid

C15H15NO4 — CID 169214219

IUPAC2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCc1cc(-c2ccc(=O)n(CC(=O)O)c2)c(C)cc1O
InChIInChI=1S/C15H15NO4/c1-9-6-13(17)10(2)5-12(9)11-3-4-14(18)16(7-11)8-15(19)20/h3-7,17H,8H2,1-2H3,(H,19,20)
InChIKeyYKTXHGMUDSSUPZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.92
Rot. Bonds3

About 2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid

2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 169214219) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID169214219
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCc1cc(-c2ccc(=O)n(CC(=O)O)c2)c(C)cc1O
InChIInChI=1S/C15H15NO4/c1-9-6-13(17)10(2)5-12(9)11-3-4-14(18)16(7-11)8-15(19)20/h3-7,17H,8H2,1-2H3,(H,19,20)
InChIKeyYKTXHGMUDSSUPZ-UHFFFAOYSA-N
XLogP1.92
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82120698
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838
2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid
CID 176809254
2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214363
2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid
CID 176809246
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid
CID 169213986
2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 112707571
2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid
CID 158586532
2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid
CID 82294212
4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane
CID 157471030
1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 94959672

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid (CID 169214219) is 2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid is Cc1cc(-c2ccc(=O)n(CC(=O)O)c2)c(C)cc1O.
What is the InChIKey of 2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is YKTXHGMUDSSUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-6-13(17)10(2)5-12(9)11-3-4-14(18)16(7-11)8-15(19)20/h3-7,17H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid?
2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 169214219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).