methyl 1-methoxy-4-oxopyridine-2-carboxylate

C8H9NO4 — CID 141408434

IUPACmethyl 1-methoxy-4-oxopyridine-2-carboxylate
SMILESCOC(=O)c1cc(=O)ccn1OC
InChIInChI=1S/C8H9NO4/c1-12-8(11)7-5-6(10)3-4-9(7)13-2/h3-5H,1-2H3
InChIKeyPTJNPDGRVGYEFR-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.31
Rot. Bonds2

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

methyl 1-methoxy-4-oxopyridine-2-carboxylate (PubChem CID 141408434) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is methyl 1-methoxy-4-oxopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxy-4-oxopyridine-2-carboxylate
PubChem CID141408434
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Namemethyl 1-methoxy-4-oxopyridine-2-carboxylate
SMILESCOC(=O)c1cc(=O)ccn1OC
InChIInChI=1S/C8H9NO4/c1-12-8(11)7-5-6(10)3-4-9(7)13-2/h3-5H,1-2H3
InChIKeyPTJNPDGRVGYEFR-UHFFFAOYSA-N
XLogP-0.31
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methoxy-4-oxopyridine-2-carboxylate?
The IUPAC name of methyl 1-methoxy-4-oxopyridine-2-carboxylate (CID 141408434) is methyl 1-methoxy-4-oxopyridine-2-carboxylate.
What is the SMILES notation for methyl 1-methoxy-4-oxopyridine-2-carboxylate?
The canonical SMILES for methyl 1-methoxy-4-oxopyridine-2-carboxylate is COC(=O)c1cc(=O)ccn1OC.
What is the InChIKey of methyl 1-methoxy-4-oxopyridine-2-carboxylate?
The InChIKey is PTJNPDGRVGYEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-12-8(11)7-5-6(10)3-4-9(7)13-2/h3-5H,1-2H3.
What are the key properties of methyl 1-methoxy-4-oxopyridine-2-carboxylate?
methyl 1-methoxy-4-oxopyridine-2-carboxylate has a molecular weight of 183.16 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxy-4-oxopyridine-2-carboxylate is sourced from PubChem (CID 141408434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).