6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid

C14H13NO3 — CID 1489807

IUPAC6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
SMILESCc1cccc(-n2cc(C(=O)O)c(=O)cc2C)c1
InChIInChI=1S/C14H13NO3/c1-9-4-3-5-11(6-9)15-8-12(14(17)18)13(16)7-10(15)2/h3-8H,1-2H3,(H,17,18)
InChIKeyGXSVJHDXYPOFSD-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.15
Rot. Bonds2

About 6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid

6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid (PubChem CID 1489807) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
PubChem CID1489807
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
SMILESCc1cccc(-n2cc(C(=O)O)c(=O)cc2C)c1
InChIInChI=1S/C14H13NO3/c1-9-4-3-5-11(6-9)15-8-12(14(17)18)13(16)7-10(15)2/h3-8H,1-2H3,(H,17,18)
InChIKeyGXSVJHDXYPOFSD-UHFFFAOYSA-N
XLogP2.15
TPSA59.30 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14027756
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82420382
6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82421024
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82421494
2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid
CID 82419755
5-acetyl-1-(2,6-dimethylphenyl)-2-methylpyridin-4-one
CID 82420257
2-(3-methylphenyl)-1-oxo-6-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 176715982
5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 130407768
6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid
CID 15591063
3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931444

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid (CID 1489807) is 6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid is Cc1cccc(-n2cc(C(=O)O)c(=O)cc2C)c1.
What is the InChIKey of 6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid?
The InChIKey is GXSVJHDXYPOFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-4-3-5-11(6-9)15-8-12(14(17)18)13(16)7-10(15)2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid?
6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 1489807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).