1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid

C9H11NO3 — CID 20583083

IUPAC1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n(C)c1=O
InChIInChI=1S/C9H11NO3/c1-5-4-7(9(12)13)6(2)10(3)8(5)11/h4H,1-3H3,(H,12,13)
InChIKeySSGGKNBXBZFHBU-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.70
Rot. Bonds1

About 1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid

1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid (PubChem CID 20583083) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid
PubChem CID20583083
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n(C)c1=O
InChIInChI=1S/C9H11NO3/c1-5-4-7(9(12)13)6(2)10(3)8(5)11/h4H,1-3H3,(H,12,13)
InChIKeySSGGKNBXBZFHBU-UHFFFAOYSA-N
XLogP0.70
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 6501006
6-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 113444
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885909
6-Oxo-1-(propan-2-yl)-1,6-dihydropyridine-3-carboxylic acid
CID 21885916
1,5-Dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885925
1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 37134599
2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-4-carboxylic acid
CID 44600733
1,2-Dihydro-1,6-dimethyl-2-oxo-4-pyridinecarboxylic acid
CID 68432029
5-Oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
CID 83482177
6-Isopropyl-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 37134583
1-Cyclopropyl-2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 60727884
1-Ethyl-5-fluoro-6-oxopyridine-3-carboxylic acid
CID 21885833

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid (CID 20583083) is 1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(C)n(C)c1=O.
What is the InChIKey of 1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is SSGGKNBXBZFHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-4-7(9(12)13)6(2)10(3)8(5)11/h4H,1-3H3,(H,12,13).
What are the key properties of 1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid?
1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 20583083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).