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

C8H9NO4 — CID 54183317

IUPAC2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCOCc1cc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H9NO4/c1-13-4-6-2-5(8(11)12)3-7(10)9-6/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyPDJTWWSYOJKCKC-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.22
Rot. Bonds3

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

2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 54183317) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID54183317
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCOCc1cc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H9NO4/c1-13-4-6-2-5(8(11)12)3-7(10)9-6/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyPDJTWWSYOJKCKC-UHFFFAOYSA-N
XLogP0.22
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid (CID 54183317) is 2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid is COCc1cc(C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is PDJTWWSYOJKCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-13-4-6-2-5(8(11)12)3-7(10)9-6/h2-3H,4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid?
2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 54183317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).