methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate

C9H11NO4 — CID 2726371

IUPACmethyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate
SMILESCOC(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C9H11NO4/c1-6-9(7(11)3-4-10-6)14-5-8(12)13-2/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeySUNBRFLBFDIFQV-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.24
Rot. Bonds3

About methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate

methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate (PubChem CID 2726371) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate
PubChem CID2726371
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namemethyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate
SMILESCOC(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C9H11NO4/c1-6-9(7(11)3-4-10-6)14-5-8(12)13-2/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeySUNBRFLBFDIFQV-UHFFFAOYSA-N
XLogP0.24
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate?
The IUPAC name of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate (CID 2726371) is methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate?
The canonical SMILES for methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate is COC(=O)COc1c(C)[nH]ccc1=O.
What is the InChIKey of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate?
The InChIKey is SUNBRFLBFDIFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-9(7(11)3-4-10-6)14-5-8(12)13-2/h3-4H,5H2,1-2H3,(H,10,11).
What are the key properties of methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate?
methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate has a molecular weight of 197.19 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetate is sourced from PubChem (CID 2726371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).