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

C16H17NO3 — CID 176809246

IUPAC2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(C)c(-c2cn(CC(=O)O)c(=O)cc2C)c1
InChIInChI=1S/C16H17NO3/c1-10-4-5-11(2)13(6-10)14-8-17(9-16(19)20)15(18)7-12(14)3/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyMWBRGXSCMYSDTD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.53
Rot. Bonds3

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

2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid (PubChem CID 176809246) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid
PubChem CID176809246
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(C)c(-c2cn(CC(=O)O)c(=O)cc2C)c1
InChIInChI=1S/C16H17NO3/c1-10-4-5-11(2)13(6-10)14-8-17(9-16(19)20)15(18)7-12(14)3/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyMWBRGXSCMYSDTD-UHFFFAOYSA-N
XLogP2.53
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.53
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-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838
2-[4-(2-amino-5-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 141371862
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid
CID 82294212
2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214363
2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 169214219
2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid
CID 176809254
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate;2-(4-methyl-2-oxo-1-pyridinyl)acetic acid
CID 160822702
3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141377
2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid
CID 115023854
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid (CID 176809246) is 2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid is Cc1ccc(C)c(-c2cn(CC(=O)O)c(=O)cc2C)c1.
What is the InChIKey of 2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is MWBRGXSCMYSDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-4-5-11(2)13(6-10)14-8-17(9-16(19)20)15(18)7-12(14)3/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid?
2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 176809246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).