2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid

C14H13NO3 — CID 39870389

IUPAC2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
SMILESCc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)O
InChIInChI=1S/C14H13NO3/c1-9-8-12(16)15(10(2)13(9)14(17)18)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18)
InChIKeyRFKDVOHGQMOTQS-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.15
Rot. Bonds2

About 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid (PubChem CID 39870389) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
PubChem CID39870389
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
SMILESCc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)O
InChIInChI=1S/C14H13NO3/c1-9-8-12(16)15(10(2)13(9)14(17)18)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18)
InChIKeyRFKDVOHGQMOTQS-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-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 612407
6-Oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid
CID 11988812
3-acetyl-4-hydroxy-6-isopropyl-1-phenyl-2(1H)-pyridinone
CID 54686079
3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54693422
2,6-Dimethyl-4-oxo-1-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 227374
4-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 54680924
1-(4-Fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 58443246
1-(2-Fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 61726619
(2Z)-3-[N-(2-fluorophenyl)carbamoyl]but-2-enoic acid
CID 7344015
1-(4-Fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 21081529
2-Methylprop-2-enamide;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione
CID 22386346
Nicotinic acid, 1,2-dihydro-4,6-dimethyl-2-oxo-1-p-tolyl-
CID 611686

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid (CID 39870389) is 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid is Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
The InChIKey is RFKDVOHGQMOTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-8-12(16)15(10(2)13(9)14(17)18)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-phenylpyridine-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 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 39870389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).