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

C16H17NO3 — CID 82123856

IUPAC5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C)c(-c2[nH]c(=O)c(C(=O)O)cc2C)c(C)c1
InChIInChI=1S/C16H17NO3/c1-8-5-9(2)13(10(3)6-8)14-11(4)7-12(16(19)20)15(18)17-14/h5-7H,1-4H3,(H,17,18)(H,19,20)
InChIKeyAZYXLZWBSMRWET-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.97
Rot. Bonds2

About 5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid

5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid (PubChem CID 82123856) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid
PubChem CID82123856
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C)c(-c2[nH]c(=O)c(C(=O)O)cc2C)c(C)c1
InChIInChI=1S/C16H17NO3/c1-8-5-9(2)13(10(3)6-8)14-11(4)7-12(16(19)20)15(18)17-14/h5-7H,1-4H3,(H,17,18)(H,19,20)
InChIKeyAZYXLZWBSMRWET-UHFFFAOYSA-N
XLogP2.97
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 114872883
6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 62631831
6-(4-ethoxyphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82124021
5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553133
2-chloro-5-(2,4,6-trimethylphenyl)benzoic acid
CID 54912541
3-(2,4,6-trimethylphenyl)-1,2-oxazole-4-carboxylic acid
CID 11535962
6-(2,5-dimethylphenyl)-5-methyl-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 82124065
1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82294230
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 89421782
6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid
CID 116865013
1-(3-fluoro-5-methylphenyl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875790

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid (CID 82123856) is 5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid is Cc1cc(C)c(-c2[nH]c(=O)c(C(=O)O)cc2C)c(C)c1.
What is the InChIKey of 5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is AZYXLZWBSMRWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-8-5-9(2)13(10(3)6-8)14-11(4)7-12(16(19)20)15(18)17-14/h5-7H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid?
5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-6-(2,4,6-trimethylphenyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82123856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).