methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate

C9H11NO4 — CID 13011400

IUPACmethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1ccc(=O)c(O)c1C
InChIInChI=1S/C9H11NO4/c1-6-9(13)7(11)3-4-10(6)5-8(12)14-2/h3-4,13H,5H2,1-2H3
InChIKeyOUTNUAUSXFSEJC-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.04
Rot. Bonds2

About methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate

methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate (PubChem CID 13011400) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate
PubChem CID13011400
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namemethyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1ccc(=O)c(O)c1C
InChIInChI=1S/C9H11NO4/c1-6-9(13)7(11)3-4-10(6)5-8(12)14-2/h3-4,13H,5H2,1-2H3
InChIKeyOUTNUAUSXFSEJC-UHFFFAOYSA-N
XLogP0.04
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate (CID 13011400) is methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate is COC(=O)Cn1ccc(=O)c(O)c1C.
What is the InChIKey of methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate?
The InChIKey is OUTNUAUSXFSEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-9(13)7(11)3-4-10(6)5-8(12)14-2/h3-4,13H,5H2,1-2H3.
What are the key properties of methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate?
methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate has a molecular weight of 197.19 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 13011400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).