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

C9H11NO3 — CID 574139

IUPAC(1,2-dimethyl-6-oxo-4-pyridinyl) acetate
SMILESCC(=O)Oc1cc(C)n(C)c(=O)c1
InChIInChI=1S/C9H11NO3/c1-6-4-8(13-7(2)11)5-9(12)10(6)3/h4-5H,1-3H3
InChIKeyNIHLRIUJTFZUME-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.62
Rot. Bonds1

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

(1,2-dimethyl-6-oxo-4-pyridinyl) acetate (PubChem CID 574139) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (1,2-dimethyl-6-oxo-4-pyridinyl) acetate.

Molecular Properties

Compound Name(1,2-dimethyl-6-oxo-4-pyridinyl) acetate
PubChem CID574139
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(1,2-dimethyl-6-oxo-4-pyridinyl) acetate
SMILESCC(=O)Oc1cc(C)n(C)c(=O)c1
InChIInChI=1S/C9H11NO3/c1-6-4-8(13-7(2)11)5-9(12)10(6)3/h4-5H,1-3H3
InChIKeyNIHLRIUJTFZUME-UHFFFAOYSA-N
XLogP0.62
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) acetate?
The IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) acetate (CID 574139) is (1,2-dimethyl-6-oxo-4-pyridinyl) acetate.
What is the SMILES notation for (1,2-dimethyl-6-oxo-4-pyridinyl) acetate?
The canonical SMILES for (1,2-dimethyl-6-oxo-4-pyridinyl) acetate is CC(=O)Oc1cc(C)n(C)c(=O)c1.
What is the InChIKey of (1,2-dimethyl-6-oxo-4-pyridinyl) acetate?
The InChIKey is NIHLRIUJTFZUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-4-8(13-7(2)11)5-9(12)10(6)3/h4-5H,1-3H3.
What are the key properties of (1,2-dimethyl-6-oxo-4-pyridinyl) acetate?
(1,2-dimethyl-6-oxo-4-pyridinyl) acetate has a molecular weight of 181.19 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-6-oxo-4-pyridinyl) acetate is sourced from PubChem (CID 574139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).