3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid

C8H9NO4 — CID 84658866

IUPAC3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)n(C)ccc1=O
InChIInChI=1S/C8H9NO4/c1-9-4-3-5(10)7(13-2)6(9)8(11)12/h3-4H,1-2H3,(H,11,12)
InChIKeyGYTJLLNURLWRRH-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.09
Rot. Bonds2

About 3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid

3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid (PubChem CID 84658866) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid
PubChem CID84658866
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)n(C)ccc1=O
InChIInChI=1S/C8H9NO4/c1-9-4-3-5(10)7(13-2)6(9)8(11)12/h3-4H,1-2H3,(H,11,12)
InChIKeyGYTJLLNURLWRRH-UHFFFAOYSA-N
XLogP0.09
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid (CID 84658866) is 3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid is COc1c(C(=O)O)n(C)ccc1=O.
What is the InChIKey of 3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid?
The InChIKey is GYTJLLNURLWRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-9-4-3-5(10)7(13-2)6(9)8(11)12/h3-4H,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid?
3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 84658866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).