(6-methyl-3-pyridinyl) acetate

C8H9NO2 — CID 521235

IUPAC(6-methyl-3-pyridinyl) acetate
SMILESCC(=O)Oc1ccc(C)nc1
InChIInChI=1S/C8H9NO2/c1-6-3-4-8(5-9-6)11-7(2)10/h3-5H,1-2H3
InChIKeyWXLRJJLUBRXUPX-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.32
Rot. Bonds1

About (6-methyl-3-pyridinyl) acetate

(6-methyl-3-pyridinyl) acetate (PubChem CID 521235) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl) acetate.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl) acetate
PubChem CID521235
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(6-methyl-3-pyridinyl) acetate
SMILESCC(=O)Oc1ccc(C)nc1
InChIInChI=1S/C8H9NO2/c1-6-3-4-8(5-9-6)11-7(2)10/h3-5H,1-2H3
InChIKeyWXLRJJLUBRXUPX-UHFFFAOYSA-N
XLogP1.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl) acetate?
The IUPAC name of (6-methyl-3-pyridinyl) acetate (CID 521235) is (6-methyl-3-pyridinyl) acetate.
What is the SMILES notation for (6-methyl-3-pyridinyl) acetate?
The canonical SMILES for (6-methyl-3-pyridinyl) acetate is CC(=O)Oc1ccc(C)nc1.
What is the InChIKey of (6-methyl-3-pyridinyl) acetate?
The InChIKey is WXLRJJLUBRXUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-3-4-8(5-9-6)11-7(2)10/h3-5H,1-2H3.
What are the key properties of (6-methyl-3-pyridinyl) acetate?
(6-methyl-3-pyridinyl) acetate has a molecular weight of 151.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl) acetate is sourced from PubChem (CID 521235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).