4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid

C16H17NO3 — CID 82123884

IUPAC4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(-n2ccc(C)c(C(=O)O)c2=O)c(C)c1
InChIInChI=1S/C16H17NO3/c1-9-7-11(3)14(12(4)8-9)17-6-5-10(2)13(15(17)18)16(19)20/h5-8H,1-4H3,(H,19,20)
InChIKeyVKPZOTQHWQDXNK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.77
Rot. Bonds2

About 4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid

4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid (PubChem CID 82123884) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid
PubChem CID82123884
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(-n2ccc(C)c(C(=O)O)c2=O)c(C)c1
InChIInChI=1S/C16H17NO3/c1-9-7-11(3)14(12(4)8-9)17-6-5-10(2)13(15(17)18)16(19)20/h5-8H,1-4H3,(H,19,20)
InChIKeyVKPZOTQHWQDXNK-UHFFFAOYSA-N
XLogP2.77
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid (CID 82123884) is 4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid is Cc1cc(C)c(-n2ccc(C)c(C(=O)O)c2=O)c(C)c1.
What is the InChIKey of 4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid?
The InChIKey is VKPZOTQHWQDXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-9-7-11(3)14(12(4)8-9)17-6-5-10(2)13(15(17)18)16(19)20/h5-8H,1-4H3,(H,19,20).
What are the key properties of 4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid?
4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82123884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).