6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid

C14H13NO3 — CID 82419564

IUPAC6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
SMILESCc1ccccc1-n1cc(C(=O)O)c(=O)cc1C
InChIInChI=1S/C14H13NO3/c1-9-5-3-4-6-12(9)15-8-11(14(17)18)13(16)7-10(15)2/h3-8H,1-2H3,(H,17,18)
InChIKeyRZNDDPHJTUZARU-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.15
Rot. Bonds2

About 6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid

6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid (PubChem CID 82419564) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
PubChem CID82419564
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
SMILESCc1ccccc1-n1cc(C(=O)O)c(=O)cc1C
InChIInChI=1S/C14H13NO3/c1-9-5-3-4-6-12(9)15-8-11(14(17)18)13(16)7-10(15)2/h3-8H,1-2H3,(H,17,18)
InChIKeyRZNDDPHJTUZARU-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-(2,5-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82420382
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82421494
5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one
CID 82419586
6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 1489807
1-(4-hydroxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14027756
5-acetyl-1-(2,6-dimethylphenyl)-2-methylpyridin-4-one
CID 82420257
7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid
CID 143264782
1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide
CID 82419941
1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82419857
6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 14010769
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82419346
(E)-3-[1-(2,3-dimethylphenyl)-6-methyl-4-oxo-3-pyridinyl]prop-2-enoic acid
CID 82419951

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid (CID 82419564) is 6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid is Cc1ccccc1-n1cc(C(=O)O)c(=O)cc1C.
What is the InChIKey of 6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid?
The InChIKey is RZNDDPHJTUZARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-5-3-4-6-12(9)15-8-11(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-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid?
6-methyl-1-(2-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-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82419564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).