2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid

C14H13NO3 — CID 82117838

IUPAC2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)O)c2)cc1
InChIInChI=1S/C14H13NO3/c1-10-2-4-11(5-3-10)12-6-7-13(16)15(8-12)9-14(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyWDQUFRWZQJAJID-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.91
Rot. Bonds3

About 2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid

2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 82117838) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID82117838
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)O)c2)cc1
InChIInChI=1S/C14H13NO3/c1-10-2-4-11(5-3-10)12-6-7-13(16)15(8-12)9-14(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyWDQUFRWZQJAJID-UHFFFAOYSA-N
XLogP1.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82120698
2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 169214219
2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid
CID 169213986
2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid
CID 176809254
1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one
CID 82117734
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
1-(2-aminoethyl)-5-phenylpyridin-2-one
CID 82113594
2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 141371862
N-(2-fluoro-4-methylphenyl)-2-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]acetamide
CID 53173922
2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 112707571

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid (CID 82117838) is 2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid is Cc1ccc(-c2ccc(=O)n(CC(=O)O)c2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is WDQUFRWZQJAJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-2-4-11(5-3-10)12-6-7-13(16)15(8-12)9-14(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid?
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82117838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).