2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid

C7H7NO4 — CID 69385500

IUPAC2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid
SMILESCOC1N=CC=C(C(=O)O)C1=O
InChIInChI=1S/C7H7NO4/c1-12-6-5(9)4(7(10)11)2-3-8-6/h2-3,6H,1H3,(H,10,11)
InChIKeyOUGXPZMSQIVZPE-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.38
Rot. Bonds2

About 2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid

2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid (PubChem CID 69385500) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid
PubChem CID69385500
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid
SMILESCOC1N=CC=C(C(=O)O)C1=O
InChIInChI=1S/C7H7NO4/c1-12-6-5(9)4(7(10)11)2-3-8-6/h2-3,6H,1H3,(H,10,11)
InChIKeyOUGXPZMSQIVZPE-UHFFFAOYSA-N
XLogP-0.38
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid?
The IUPAC name of 2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid (CID 69385500) is 2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid is COC1N=CC=C(C(=O)O)C1=O.
What is the InChIKey of 2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid?
The InChIKey is OUGXPZMSQIVZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-12-6-5(9)4(7(10)11)2-3-8-6/h2-3,6H,1H3,(H,10,11).
What are the key properties of 2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid?
2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-oxo-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 69385500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).