2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid

C9H11NO4 — CID 82399157

IUPAC2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCOCc1[nH]c(=O)cc(C)c1C(=O)O
InChIInChI=1S/C9H11NO4/c1-5-3-7(11)10-6(4-14-2)8(5)9(12)13/h3H,4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPNWLUJIQAJNVIX-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.53
Rot. Bonds3

About 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid

2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 82399157) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID82399157
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCOCc1[nH]c(=O)cc(C)c1C(=O)O
InChIInChI=1S/C9H11NO4/c1-5-3-7(11)10-6(4-14-2)8(5)9(12)13/h3H,4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPNWLUJIQAJNVIX-UHFFFAOYSA-N
XLogP0.53
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid (CID 82399157) is 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid is COCc1[nH]c(=O)cc(C)c1C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is PNWLUJIQAJNVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-5-3-7(11)10-6(4-14-2)8(5)9(12)13/h3H,4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82399157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).