methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate

C8H9NO4 — CID 18466852

IUPACmethyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)[nH]c(=O)c1
InChIInChI=1S/C8H9NO4/c1-12-7-4-5(8(11)13-2)3-6(10)9-7/h3-4H,1-2H3,(H,9,10)
InChIKeyAYQLUOOKENFGNL-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.17
Rot. Bonds2

About methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate

methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 18466852) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate
PubChem CID18466852
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Namemethyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)[nH]c(=O)c1
InChIInChI=1S/C8H9NO4/c1-12-7-4-5(8(11)13-2)3-6(10)9-7/h3-4H,1-2H3,(H,9,10)
InChIKeyAYQLUOOKENFGNL-UHFFFAOYSA-N
XLogP0.17
TPSA68.39 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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate (CID 18466852) is methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc(OC)[nH]c(=O)c1.
What is the InChIKey of methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is AYQLUOOKENFGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-12-7-4-5(8(11)13-2)3-6(10)9-7/h3-4H,1-2H3,(H,9,10).
What are the key properties of methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate?
methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 183.16 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 18466852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).