6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid

C13H11NO3 — CID 22405597

IUPAC6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]c(=O)c(C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C13H11NO3/c1-8-10(9-5-3-2-4-6-9)7-11(13(16)17)12(15)14-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyWJXDFYJPIUSOMT-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.05
Rot. Bonds2

About 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid

6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid (PubChem CID 22405597) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
PubChem CID22405597
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]c(=O)c(C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C13H11NO3/c1-8-10(9-5-3-2-4-6-9)7-11(13(16)17)12(15)14-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyWJXDFYJPIUSOMT-UHFFFAOYSA-N
XLogP2.05
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid (CID 22405597) is 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid is Cc1[nH]c(=O)c(C(=O)O)cc1-c1ccccc1.
What is the InChIKey of 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid?
The InChIKey is WJXDFYJPIUSOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-8-10(9-5-3-2-4-6-9)7-11(13(16)17)12(15)14-8/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid?
6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 22405597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).