methyl 1-hydroxy-4-oxopyridine-2-carboxylate

C7H7NO4 — CID 141408439

IUPACmethyl 1-hydroxy-4-oxopyridine-2-carboxylate
SMILESCOC(=O)c1cc(=O)ccn1O
InChIInChI=1S/C7H7NO4/c1-12-7(10)6-4-5(9)2-3-8(6)11/h2-4,11H,1H3
InChIKeyLQGLLIISDQQFMS-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.13
Rot. Bonds1

About methyl 1-hydroxy-4-oxopyridine-2-carboxylate

methyl 1-hydroxy-4-oxopyridine-2-carboxylate (PubChem CID 141408439) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is methyl 1-hydroxy-4-oxopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-4-oxopyridine-2-carboxylate
PubChem CID141408439
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Namemethyl 1-hydroxy-4-oxopyridine-2-carboxylate
SMILESCOC(=O)c1cc(=O)ccn1O
InChIInChI=1S/C7H7NO4/c1-12-7(10)6-4-5(9)2-3-8(6)11/h2-4,11H,1H3
InChIKeyLQGLLIISDQQFMS-UHFFFAOYSA-N
XLogP-0.13
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-4-oxopyridine-2-carboxylate?
The IUPAC name of methyl 1-hydroxy-4-oxopyridine-2-carboxylate (CID 141408439) is methyl 1-hydroxy-4-oxopyridine-2-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-4-oxopyridine-2-carboxylate?
The canonical SMILES for methyl 1-hydroxy-4-oxopyridine-2-carboxylate is COC(=O)c1cc(=O)ccn1O.
What is the InChIKey of methyl 1-hydroxy-4-oxopyridine-2-carboxylate?
The InChIKey is LQGLLIISDQQFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-12-7(10)6-4-5(9)2-3-8(6)11/h2-4,11H,1H3.
What are the key properties of methyl 1-hydroxy-4-oxopyridine-2-carboxylate?
methyl 1-hydroxy-4-oxopyridine-2-carboxylate has a molecular weight of 169.14 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-4-oxopyridine-2-carboxylate is sourced from PubChem (CID 141408439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).