ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate

C9H11NO4 — CID 78166571

IUPACethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC=NC(=O)C1OC
InChIInChI=1S/C9H11NO4/c1-3-14-9(12)6-4-5-10-8(11)7(6)13-2/h4-5,7H,3H2,1-2H3
InChIKeyDGSNDVQSZKXISC-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.10
Rot. Bonds3

About ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate

ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate (PubChem CID 78166571) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate
PubChem CID78166571
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Nameethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC=NC(=O)C1OC
InChIInChI=1S/C9H11NO4/c1-3-14-9(12)6-4-5-10-8(11)7(6)13-2/h4-5,7H,3H2,1-2H3
InChIKeyDGSNDVQSZKXISC-UHFFFAOYSA-N
XLogP0.10
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate?
The IUPAC name of ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate (CID 78166571) is ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate is CCOC(=O)C1=CC=NC(=O)C1OC.
What is the InChIKey of ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate?
The InChIKey is DGSNDVQSZKXISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-3-14-9(12)6-4-5-10-8(11)7(6)13-2/h4-5,7H,3H2,1-2H3.
What are the key properties of ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate?
ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate is sourced from PubChem (CID 78166571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).