1,6-dimethyl-2-oxopyridine-3-carboxylic acid

C8H9NO3 — CID 14998715

IUPAC1,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1C
InChIInChI=1S/C8H9NO3/c1-5-3-4-6(8(11)12)7(10)9(5)2/h3-4H,1-2H3,(H,11,12)
InChIKeyVNVVNIRZCHXSGD-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.39
Rot. Bonds1

About 1,6-dimethyl-2-oxopyridine-3-carboxylic acid

1,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 14998715) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,6-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID14998715
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1C
InChIInChI=1S/C8H9NO3/c1-5-3-4-6(8(11)12)7(10)9(5)2/h3-4H,1-2H3,(H,11,12)
InChIKeyVNVVNIRZCHXSGD-UHFFFAOYSA-N
XLogP0.39
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-pyridone-3-carboxylic acid
CID 94960
1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 1201510
1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 6501006
1-Methyl-6-(2-methylpropyl)-2-oxopyridine-3-carboxylic acid
CID 13543679
1-Cyclopropyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 72942813
3-Pyridinecarboxylic acid, 1-cyclobutyl-1,2-dihydro-2-oxo-
CID 86277097
5-Bromo-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 86775638
6-(2,2-Dimethylpropyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 13543680
6-Isopropyl-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 37134583
3-(4-Hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoic acid
CID 54713301
4-oxo-4H-quinolizine-3-carboxylic acid
CID 15632080
1,4-Dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 22382023

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 14998715) is 1,6-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1,6-dimethyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is VNVVNIRZCHXSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-3-4-6(8(11)12)7(10)9(5)2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
1,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 14998715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).