1,5-dimethyl-6-oxopyridine-2-carboxylic acid

C8H9NO3 — CID 151346110

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

About 1,5-dimethyl-6-oxopyridine-2-carboxylic acid

1,5-dimethyl-6-oxopyridine-2-carboxylic acid (PubChem CID 151346110) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1,5-dimethyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethyl-6-oxopyridine-2-carboxylic acid
PubChem CID151346110
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1,5-dimethyl-6-oxopyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)O)n(C)c1=O
InChIInChI=1S/C8H9NO3/c1-5-3-4-6(8(11)12)9(2)7(5)10/h3-4H,1-2H3,(H,11,12)
InChIKeyOLMLRPALRUTJIO-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

Pencolide
CID 38353904
1,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 14998715
1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid
CID 12286524
2-(3-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 39103283
2-(4-Hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoic acid
CID 54716503
2-(3-Methyl-2,5-dioxopyrrol-1-yl)but-2-enoic acid
CID 85503019
1-Methyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497669
6-Oxo-1-prop-2-enyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497862
2-[6-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458848
2-(4-Hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 54676123
1-(2-Fluoroethyl)-6-oxopyridine-2-carboxylic acid
CID 108108473
1-(3-Fluoropropyl)-6-oxopyridine-2-carboxylic acid
CID 108108556

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1,5-dimethyl-6-oxopyridine-2-carboxylic acid (CID 151346110) is 1,5-dimethyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1,5-dimethyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1,5-dimethyl-6-oxopyridine-2-carboxylic acid is Cc1ccc(C(=O)O)n(C)c1=O.
What is the InChIKey of 1,5-dimethyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is OLMLRPALRUTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-3-4-6(8(11)12)9(2)7(5)10/h3-4H,1-2H3,(H,11,12).
What are the key properties of 1,5-dimethyl-6-oxopyridine-2-carboxylic acid?
1,5-dimethyl-6-oxopyridine-2-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 1,5-dimethyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 151346110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).