methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate

C9H11NO4 — CID 165131409

IUPACmethyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cc(OC)ccc1=O
InChIInChI=1S/C9H11NO4/c1-13-7-3-4-8(11)10(5-7)6-9(12)14-2/h3-5H,6H2,1-2H3
InChIKeyPMEILZMXDUIECS-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.03
Rot. Bonds3

About methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate

methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate (PubChem CID 165131409) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate
PubChem CID165131409
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namemethyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cc(OC)ccc1=O
InChIInChI=1S/C9H11NO4/c1-13-7-3-4-8(11)10(5-7)6-9(12)14-2/h3-5H,6H2,1-2H3
InChIKeyPMEILZMXDUIECS-UHFFFAOYSA-N
XLogP0.03
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate (CID 165131409) is methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate is COC(=O)Cn1cc(OC)ccc1=O.
What is the InChIKey of methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate?
The InChIKey is PMEILZMXDUIECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-13-7-3-4-8(11)10(5-7)6-9(12)14-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate?
methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate has a molecular weight of 197.19 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 165131409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).