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

C10H9N2O3- — CID 7450933

IUPAC2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate
SMILESCc1cc(C)n(CC(=O)[O-])c(=O)c1C#N
InChIInChI=1S/C10H10N2O3/c1-6-3-7(2)12(5-9(13)14)10(15)8(6)4-11/h3H,5H2,1-2H3,(H,13,14)/p-1
InChIKeyYULVOEPADNJSMK-UHFFFAOYSA-M
MW205.19 g/mol
LogP-0.91
Rot. Bonds2

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

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate (PubChem CID 7450933) has the molecular formula C10H9N2O3- and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate
PubChem CID7450933
Molecular FormulaC10H9N2O3-
Molecular Weight205.19 g/mol
Exact Mass205.06
IUPAC Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate
SMILESCc1cc(C)n(CC(=O)[O-])c(=O)c1C#N
InChIInChI=1S/C10H10N2O3/c1-6-3-7(2)12(5-9(13)14)10(15)8(6)4-11/h3H,5H2,1-2H3,(H,13,14)/p-1
InChIKeyYULVOEPADNJSMK-UHFFFAOYSA-M
XLogP-0.91
TPSA85.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate (CID 7450933) is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate is Cc1cc(C)n(CC(=O)[O-])c(=O)c1C#N.
What is the InChIKey of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is YULVOEPADNJSMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N2O3/c1-6-3-7(2)12(5-9(13)14)10(15)8(6)4-11/h3H,5H2,1-2H3,(H,13,14)/p-1.
What are the key properties of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate?
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 205.19 g/mol, XLogP of -0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 7450933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).