methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate

C9H11NO4 — CID 123342113

IUPACmethyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(C)c(=O)c1OC
InChIInChI=1S/C9H11NO4/c1-10-5-4-6(9(12)14-3)7(13-2)8(10)11/h4-5H,1-3H3
InChIKeyIBURMFVSJALGMQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.18
Rot. Bonds2

About methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate

methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate (PubChem CID 123342113) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
PubChem CID123342113
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namemethyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(C)c(=O)c1OC
InChIInChI=1S/C9H11NO4/c1-10-5-4-6(9(12)14-3)7(13-2)8(10)11/h4-5H,1-3H3
InChIKeyIBURMFVSJALGMQ-UHFFFAOYSA-N
XLogP0.18
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate?
The IUPAC name of methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate (CID 123342113) is methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate.
What is the SMILES notation for methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate?
The canonical SMILES for methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate is COC(=O)c1ccn(C)c(=O)c1OC.
What is the InChIKey of methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate?
The InChIKey is IBURMFVSJALGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-10-5-4-6(9(12)14-3)7(13-2)8(10)11/h4-5H,1-3H3.
What are the key properties of methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate?
methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 123342113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).