5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid

C14H13NO3 — CID 53222685

IUPAC5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1ccc(C)c(-c2c[nH]c(=O)cc2C(=O)O)c1
InChIInChI=1S/C14H13NO3/c1-8-3-4-9(2)10(5-8)12-7-15-13(16)6-11(12)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyXJLIVHDPISXQQL-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.36
Rot. Bonds2

About 5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid

5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 53222685) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID53222685
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1ccc(C)c(-c2c[nH]c(=O)cc2C(=O)O)c1
InChIInChI=1S/C14H13NO3/c1-8-3-4-9(2)10(5-8)12-7-15-13(16)6-11(12)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyXJLIVHDPISXQQL-UHFFFAOYSA-N
XLogP2.36
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid (CID 53222685) is 5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid is Cc1ccc(C)c(-c2c[nH]c(=O)cc2C(=O)O)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is XJLIVHDPISXQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-8-3-4-9(2)10(5-8)12-7-15-13(16)6-11(12)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 53222685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).