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

C15H15NO3 — CID 82120698

IUPAC2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(C)c(-c2ccc(=O)n(CC(=O)O)c2)c1
InChIInChI=1S/C15H15NO3/c1-10-3-4-11(2)13(7-10)12-5-6-14(17)16(8-12)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyXAQHQWBPRJIGTN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.22
Rot. Bonds3

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

2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 82120698) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID82120698
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(C)c(-c2ccc(=O)n(CC(=O)O)c2)c1
InChIInChI=1S/C15H15NO3/c1-10-3-4-11(2)13(7-10)12-5-6-14(17)16(8-12)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyXAQHQWBPRJIGTN-UHFFFAOYSA-N
XLogP2.22
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid (CID 82120698) is 2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid is Cc1ccc(C)c(-c2ccc(=O)n(CC(=O)O)c2)c1.
What is the InChIKey of 2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is XAQHQWBPRJIGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-3-4-11(2)13(7-10)12-5-6-14(17)16(8-12)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid?
2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.22, 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)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82120698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).