methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate

C11H12N2O3 — CID 6462664

IUPACmethyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C11H12N2O3/c1-7-4-8(2)13(6-10(14)16-3)11(15)9(7)5-12/h4H,6H2,1-3H3
InChIKeyOQDLUAPRKJYDCJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.51
Rot. Bonds2

About methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate

methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate (PubChem CID 6462664) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate
PubChem CID6462664
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C11H12N2O3/c1-7-4-8(2)13(6-10(14)16-3)11(15)9(7)5-12/h4H,6H2,1-3H3
InChIKeyOQDLUAPRKJYDCJ-UHFFFAOYSA-N
XLogP0.51
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate (CID 6462664) is methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate is COC(=O)Cn1c(C)cc(C)c(C#N)c1=O.
What is the InChIKey of methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is OQDLUAPRKJYDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-4-8(2)13(6-10(14)16-3)11(15)9(7)5-12/h4H,6H2,1-3H3.
What are the key properties of methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate?
methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 220.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 6462664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).