2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid

C14H13NO3 — CID 70373523

IUPAC2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid
SMILESCC1=NC(C)=C(C(=O)O)C(=O)C1c1ccccc1
InChIInChI=1S/C14H13NO3/c1-8-11(10-6-4-3-5-7-10)13(16)12(14(17)18)9(2)15-8/h3-7,11H,1-2H3,(H,17,18)
InChIKeyDRKKQYPKTNGVTM-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.17
Rot. Bonds2

About 2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid

2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid (PubChem CID 70373523) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid
PubChem CID70373523
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid
SMILESCC1=NC(C)=C(C(=O)O)C(=O)C1c1ccccc1
InChIInChI=1S/C14H13NO3/c1-8-11(10-6-4-3-5-7-10)13(16)12(14(17)18)9(2)15-8/h3-7,11H,1-2H3,(H,17,18)
InChIKeyDRKKQYPKTNGVTM-UHFFFAOYSA-N
XLogP2.17
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid (CID 70373523) is 2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid is CC1=NC(C)=C(C(=O)O)C(=O)C1c1ccccc1.
What is the InChIKey of 2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid?
The InChIKey is DRKKQYPKTNGVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-8-11(10-6-4-3-5-7-10)13(16)12(14(17)18)9(2)15-8/h3-7,11H,1-2H3,(H,17,18).
What are the key properties of 2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid?
2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-oxo-3-phenyl-3H-pyridine-5-carboxylic acid is sourced from PubChem (CID 70373523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).